1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[4,3-b]pyrazin-6(5H)-yl)-2,2-difluoroethanone (HCID 118159241)

기본 정보

표준 SMILES: CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C(=O)C(F)F
InChIKey: WREVJMIEEVIOQY-UHFFFAOYSA-N
분자식: C23H25F6N5O2
평균 분자량: 517.5 g/mol
단동위원소 질량: 517.19124403

이름 및 식별자

우선 이름: 1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[4,3-b]pyrazin-6(5H)-yl)-2,2-difluoroethanone
IUPAC: 1-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-2,2-difluoroethanone

이름 및 동의어

1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[4,3-b]pyrazin-6(5H)-yl)-2,2-difluoroethanoneCHEMBL3905140SCHEMBL168182251-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[4,3-b]pyrazin-6(5H)-yl)-2,2-difluoroethanone

데이터베이스 식별자

PubChem CID: 118159241
ChEMBL: CHEMBL3905140

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 70.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 12
회전 가능 결합 수: 7
무거운 원자 수: 36
형식 전하: 0
복잡도: 731

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