1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
기본 정보
- CAS
1374006-96-8- 표준 SMILES
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1- InChIKey
JVZHTUQIMBYDSX-SFHVURJKSA-N- 분자식
- C23H30F3N5O4S
- 평균 분자량
- 529.6 g/mol
- 단동위원소 질량
- 529.19706011
이름 및 식별자
- 우선 이름
- 1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
- IUPAC
- 1-methyl-N-[4-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
- 영어명
- ERDRP-0519
- 분자식
- C23H30F3N5O4S
- 분자량
- 529.58
이름 및 동의어
ERDRP-05191374006-96-81-Methyl-N-[4-[[(2S)-2-[2-(4-morpholinyl)ethyl]-1-piperidinyl]sulfonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamideV5S4Z5Q9VUDTXSID1010280181-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamideRefChem:907695DTXCID1015135862-methyl-N-[4-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamideA1EF9(S)-1-methyl-N-(4-((2-(2-morpholinoethyl)piperidin-1-yl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamideorb1703467
이름 더 보기
ERDRP-0519, 10 mM in DMSO1H-Pyrazole-5-carboxamide, 1-methyl-N-[4-[[(2S)-2-[2-(4-morpholinyl)ethyl]-1-piperidinyl]sulfonyl]phenyl]-3-(trifluoromethyl)-1-Methyl-N-[4-[[(2S)-2-[2-(4-morpholinyl) ethyl]-1-piperidinyl] sulfonyl] phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
C23H30F3N5O4SCHEMBL2058807SCHEMBL17823893ERDRP-0519?JVZHTUQIMBYDSX-SFHVURJKSA-NGLXC-047511-methyl-N-(4-{[(2S)-2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl]sulfonyl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamideEX-A4855
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 842
물리화학적 성질
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (188.83 mM; Need ultrasonic)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.28 · 12.28±0.70(Predicted)
- 색상
- 회백색
화학 및 산업
응용 분야
용도ERDRP-0519 is a novel orally available polymerase inhibitor, showing efficacy against a lethal morbillivirus Infection in a large animal model.
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