6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

HCID 2525992

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 851288-57-8
표준 SMILES: CC(C)n1ncc2c(C(=O)O)cc(C3CC3)nc21
InChIKey: YZDILIKIHKVAHO-UHFFFAOYSA-N
분자식: C13H15N3O2
평균 분자량: 245.28 g/mol
단동위원소 질량: 245.11642672

이름 및 식별자

우선 이름: 6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
IUPAC: 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
영어명: 6-CYCLOPROPYL-1-ISOPROPYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
분자식: C13H15N3O2
분자량: 245.28

이름 및 동의어

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo(3,4-b)pyridine-4-carboxylic acidRefChem:542042860-524-8851288-57-86-Cyclopropyl-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidMFCD063782356-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acidSCHEMBL309746MLS000761138HMS1728C09HMS2752L18

이름 더 보기

AKOS BBS-00002869ASINEX-REAG BAS 125433806-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-cyclopropyl-1-(1-methylethyl)-

BJB28857STK352047AS-399496-cyclopropyl-1-isopropylpyrazolo[3,4-b]pyridine-4-carboxylic acidZ566435546-cyclopropyl-1-(methylethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acidFT-0750257A937673

데이터베이스 식별자

CAS: 851288-57-8
PubChem CID: 2525992
DTXSID: DTXSID401331171
ChEMBL: CHEMBL1496114
EC Number: 860-524-8

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 68 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 343

실험 및 물리화학적 성질

Solubility24.8 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 145 °C · 145 °C
끓는 점: 412.8 · 412.8±45.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 1.1 · 1.10±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.