6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-{[(S)-1-(tetrahydro-furan-2-yl)methyl]-carbamoyl}-1H-pyrazol-4-yl)-amide (HCID 54759456)

기본 정보

표준 SMILES: Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NC[C@@H]1CCCO1
InChIKey: UJAXDHMVPFKCRJ-HNNXBMFYSA-N
분자식: C22H25N9O3
평균 분자량: 463.5 g/mol

이름 및 식별자

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

이름 및 동의어

CHEMBL3689986SCHEMBL12068075UJAXDHMVPFKCRJ-HNNXBMFYSA-NBDBM120654US8703768, 2556-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-{[(S)-1-(tetrahydro-furan-2-yl)methyl]-carbamoyl}-1H-pyrazol-4-yl)-amide

데이터베이스 식별자

PubChem CID: 54759456
ChEMBL: CHEMBL3689986

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 149 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 9
회전 가능 결합 수: 8
무거운 원자 수: 34
형식 전하: 0
복잡도: 718

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