기본 정보
- CAS
856667-80-6- 표준 SMILES
Cc1c(C(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12- InChIKey
FQERVQREBAPWHR-UHFFFAOYSA-N- 분자식
- C22H17FN6O2
- 평균 분자량
- 416.4 g/mol
- 단동위원소 질량
- 416.13970197
이름 및 식별자
- 우선 이름
- 4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
- IUPAC
- 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
- 영어명
- Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methyl-
- 분자식
- C22H17FN6O2
- 분자량
- 416.41
이름 및 동의어
856667-80-64-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acidSCHEMBL5851753DTXSID50620954FQERVQREBAPWHR-UHFFFAOYSA-NSB178464-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acidpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid,4-[[1-[(3-fluorophenyl)methyl]-1h-indazol-5-yl]amino]-5-methyl-4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylicacid4-({1-[(3-Fluorophenyl)methyl]-1H-indazol-5-yl}amino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid4-(1-(3-fluorobenzyl)-1H-indazol -5-ylamino)-5-methylpyrrolo [1,2-f][1,2,4]triazine-6-carboxylic acid
이름 더 보기
4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid - [F25729]Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methyl-
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 97.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 655
물리화학적 성질
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.81 · -0.81±0.41(Predicted)
화학 및 산업
공급사2 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
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