MK-8825
기본 정보
- CAS
1380887-60-4- 표준 SMILES
C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21- InChIKey
IDKKNSOZWQOAAS-KYJUHHDHSA-N- 분자식
- C31H30F2N6O3
- 평균 분자량
- 572.6 g/mol
- 단동위원소 질량
- 572.23474516
이름 및 식별자
- 우선 이름
- MK-8825
- IUPAC
- 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
- 영어명
- MK-8825
- 분자식
- C31H30F2N6O3
- 분자량
- 572.61
이름 및 동의어
MK-88251380887-60-4MK 8825RefChem:925973CHEMBL20359832-((R)-8-(3,5-Difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)-N-((S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)acetamidestarbld0021910orb1738660SCHEMBL29787828BDBM50385309PD085897HY-117694
이름 더 보기
2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(6S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl]acetamide6,9-Diazaspiro[4.5]decane-9-acetamide, 8-(3,5-difluorophenyl)-8-methyl-10-oxo-N-[(3'S)-1',2',5,7-tetrahydro-2'-oxospiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridin]-3-yl]-, (8R)-2-((R)-8-(3,5-Difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)-N-((S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)acetamide , MK-8825
2-((8R)-8-(3,5-Difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro94.5)dec-9-yl)-N-((6S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta(b)pyridine-6,3'-pyrrolo(2,3-b)pyridin)-3-yl)acetamide2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide6,9-Diazaspiro(4.5)decane-9-acetamide, 8-(3,5-difluorophenyl)-8-methyl-10-oxo-N-((3'S)-1',2',5,7-tetrahydro-2'-oxospiro(6H-cyclopenta(b)pyridine-6,3'-(3H)pyrrolo(2,3-b)pyridin)-3-yl)-, (8R)-
데이터베이스 식별자
- CAS
1380887-60-4- PubChem CID
- 56944164
- ChEMBL
CHEMBL2035983- Nikkaji
- J3.353.244J
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,090
물리화학적 성질
- 끓는 점
- 822.2 · 822.2±65.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.14 · 11.14±0.20(Predicted)
관련 반응
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