N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C₂₄H₂₇F₃N₆O₃ — CID 162362210

About N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 162362210) has the molecular formula C₂₄H₂₇F₃N₆O₃ and a molecular weight of 504.51 g/mol. Its IUPAC name is N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
• PubChem CID: 162362210
• Molecular Formula: C₂₄H₂₇F₃N₆O₃
• Molecular Weight: 504.51 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
• SMILES: Cc1cnn(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2conc2C(F)(F)F)C2CCC(C)CC2)nc1
• InChI: InChI=1S/C24H27F3N6O3/c1-13-4-6-15(7-5-13)19(31-22(34)17-12-36-32-21(17)24(25,26)27)23(35)30-18-9-8-16(11-28-18)20-14(2)10-29-33(20)3/h8-13,15,19H,4-7H2,1-3H3,(H,31,34)(H,28,30,35)/t13?,15?,19-/m0/s1
• InChIKey: ZQXRCZPHVYLYQU-XBMPDCEQSA-N
• XLogP: 4.36
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.51
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 162362210) is N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2conc2C(F)(F)F)C2CCC(C)CC2)nc1.

What is the InChIKey of N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?

The InChIKey is ZQXRCZPHVYLYQU-XBMPDCEQSA-N. The full InChI is InChI=1S/C24H27F3N6O3/c1-13-4-6-15(7-5-13)19(31-22(34)17-12-36-32-21(17)24(25,26)27)23(35)30-18-9-8-16(11-28-18)20-14(2)10-29-33(20)3/h8-13,15,19H,4-7H2,1-3H3,(H,31,34)(H,28,30,35)/t13?,15?,19-/m0/s1.

What are the key properties of N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?

N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 504.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162362210 — identifiers, structure, computed properties (public domain)

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