5-[3-Methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-ylmethylene]-4-piperidin-1-YL-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one
기본 정보
- 표준 SMILES
Cc1cc(C(=O)N2CCOCC2)[nH]c1C=C1C(=O)Nc2ncnc(N3CCCCC3)c21- InChIKey
VIJTXHKQZRDGPG-UHFFFAOYSA-N- 분자식
- C22H26N6O3
- 평균 분자량
- 422.5 g/mol
이름 및 식별자
- 우선 이름
- 5-[3-Methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-ylmethylene]-4-piperidin-1-YL-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one
- IUPAC
- 5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-6-one
이름 및 동의어
SCHEMBL6487503VIJTXHKQZRDGPG-UHFFFAOYSA-N5-[3-METHYL-5-(MORPHOLINE-4-CARBONYL)-1H-PYRROL-2 YLMETHYLENE]-4-PIPERIDIN-1-YL-5,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-6-ONE5-[3-Methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl-methylene]-4-piperidin-1-yl-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one5-[3-METHYL-5-(MORPHOLINE-4-CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-4-PIPERIDIN-1-YL-5,7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-6-ONE5-[3-METHYL-5-(MORPHOLINE-4-CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-4-PIPERIDIN-1-YL-5,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-6-ONE
데이터베이스 식별자
- PubChem CID
- 49823338
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 718
관련 반응
2건
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