6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid {1-methyl-5-[methyl-(1-methyl-pyrrolidin-3-yl)-carbamoyl]-1H-pyrazol-4-yl}-amide (HCID 54762204)

기본 정보

표준 SMILES: CN1CCC(N(C)C(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)C1
InChIKey: XEEAGQPWSWYBLO-UHFFFAOYSA-N
분자식: C23H28N10O2
평균 분자량: 476.5 g/mol
단동위원소 질량: 476.23967017

이름 및 식별자

우선 이름: 6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid {1-methyl-5-[methyl-(1-methyl-pyrrolidin-3-yl)-carbamoyl]-1H-pyrazol-4-yl}-amide
IUPAC: 6-cyclopropyl-N-[1-methyl-5-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

이름 및 동의어

SCHEMBL7512760CHEMBL3689979XEEAGQPWSWYBLO-UHFFFAOYSA-NBDBM120646US8703768, 2476-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid {1-methyl-5-[methyl-(1-methyl-pyrrolidin-3-yl)-carbamoyl]-1H-pyrazol-4-yl}-amide

데이터베이스 식별자

PubChem CID: 54762204
ChEMBL: CHEMBL3689979

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 134 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 9
회전 가능 결합 수: 7
무거운 원자 수: 35
형식 전하: 0
복잡도: 761

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