N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide

C24H28F3N7O2 — CID 162362235

IUPACN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C24H28F3N7O2/c1-14-12-30-34(3)21(14)16-6-9-19(28-13-16)31-23(36)20(32-22(35)18-10-11-29-33(18)2)15-4-7-17(8-5-15)24(25,26)27/h6,9-13,15,17,20H,4-5,7-8H2,1-3H3,(H,32,35)(H,28,31,36)
InChIKeyDGVXMYBCRMECKI-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.63
Rot. Bonds6

About N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide

N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362235) has the molecular formula C24H28F3N7O2 and a molecular weight of 503.53 g/mol. Its IUPAC name is N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362235
Molecular FormulaC24H28F3N7O2
Molecular Weight503.53 g/mol
Exact Mass503.23
IUPAC NameN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C24H28F3N7O2/c1-14-12-30-34(3)21(14)16-6-9-19(28-13-16)31-23(36)20(32-22(35)18-10-11-29-33(18)2)15-4-7-17(8-5-15)24(25,26)27/h6,9-13,15,17,20H,4-5,7-8H2,1-3H3,(H,32,35)(H,28,31,36)
InChIKeyDGVXMYBCRMECKI-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-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 N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide (CID 162362235) is N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCC(C(F)(F)F)CC2)nc1.
What is the InChIKey of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is DGVXMYBCRMECKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O2/c1-14-12-30-34(3)21(14)16-6-9-19(28-13-16)31-23(36)20(32-22(35)18-10-11-29-33(18)2)15-4-7-17(8-5-15)24(25,26)27/h6,9-13,15,17,20H,4-5,7-8H2,1-3H3,(H,32,35)(H,28,31,36).
What are the key properties of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).