2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide

C24H28F3N7O2 — CID 163514102

IUPAC2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide
SMILESCC1CCC([C@H](NC(=O)c2ccnn2C)C(=O)Nc2ccc(-c3c(C(F)(F)F)cnn3C)cn2)CC1
InChIInChI=1S/C24H28F3N7O2/c1-14-4-6-15(7-5-14)20(32-22(35)18-10-11-29-33(18)2)23(36)31-19-9-8-16(12-28-19)21-17(24(25,26)27)13-30-34(21)3/h8-15,20H,4-7H2,1-3H3,(H,32,35)(H,28,31,36)/t14?,15?,20-/m0/s1
InChIKeyDFFHWOOOWBRSCE-WSNMIEGMSA-N
MW503.53 g/mol
LogP3.80
Rot. Bonds6

About 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide

2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 163514102) has the molecular formula C24H28F3N7O2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID163514102
Molecular FormulaC24H28F3N7O2
Molecular Weight503.53 g/mol
Exact Mass503.23
IUPAC Name2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide
SMILESCC1CCC([C@H](NC(=O)c2ccnn2C)C(=O)Nc2ccc(-c3c(C(F)(F)F)cnn3C)cn2)CC1
InChIInChI=1S/C24H28F3N7O2/c1-14-4-6-15(7-5-14)20(32-22(35)18-10-11-29-33(18)2)23(36)31-19-9-8-16(12-28-19)21-17(24(25,26)27)13-30-34(21)3/h8-15,20H,4-7H2,1-3H3,(H,32,35)(H,28,31,36)/t14?,15?,20-/m0/s1
InChIKeyDFFHWOOOWBRSCE-WSNMIEGMSA-N
XLogP3.80
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide (CID 163514102) is 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide is CC1CCC([C@H](NC(=O)c2ccnn2C)C(=O)Nc2ccc(-c3c(C(F)(F)F)cnn3C)cn2)CC1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is DFFHWOOOWBRSCE-WSNMIEGMSA-N. The full InChI is InChI=1S/C24H28F3N7O2/c1-14-4-6-15(7-5-14)20(32-22(35)18-10-11-29-33(18)2)23(36)31-19-9-8-16(12-28-19)21-17(24(25,26)27)13-30-34(21)3/h8-15,20H,4-7H2,1-3H3,(H,32,35)(H,28,31,36)/t14?,15?,20-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide?
2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 163514102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).