N-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(methylcarbamoyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

HCID 68514554

기본 정보

표준 SMILES
CNC(=O)c1ccc(-c2nn(Cc3ccc(OC)cc3)c3nccc(Oc4ccc(NC(=O)C5CCN(C)C5=O)cc4F)c23)cc1
InChIKey
UUUQKBGLEFKXAN-UHFFFAOYSA-N
분자식
C34H31FN6O5
평균 분자량
622.6 g/mol
단동위원소 질량
622.23399627

이름 및 식별자

우선 이름
N-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(methylcarbamoyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
IUPAC
N-[3-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridin-4-yl]oxyphenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide

이름 및 동의어

SCHEMBL3107620UUUQKBGLEFKXAN-UHFFFAOYSA-NN-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(methylcarbamoyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-1-methyl-2-oxopyrrolidine-3-carboxamideN-(4-(1-(4-methoxybenzyl)-3-(4-(methylcarbamoyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

데이터베이스 식별자

PubChem CID
68514554

물성

구조 계산 물성

XLogP
3.9
극성 표면적
128 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
9
무거운 원자 수
46

관련 반응

4건

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