N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide

C25H31FN6O3 — CID 162362275

About N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 162362275) has the molecular formula C25H31FN6O3 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 162362275
• Molecular Formula: C25H31FN6O3
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.24
• IUPAC Name: N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1nocc1C(=O)N[C@H](C(=O)Nc1cnc(-c2c(C)cnn2C)c(F)c1)C1CCC(C)CC1
• InChI: InChI=1S/C25H31FN6O3/c1-5-20-18(13-35-31-20)24(33)30-21(16-8-6-14(2)7-9-16)25(34)29-17-10-19(26)22(27-12-17)23-15(3)11-28-32(23)4/h10-14,16,21H,5-9H2,1-4H3,(H,29,34)(H,30,33)/t14?,16?,21-/m0/s1
• InChIKey: UVNIDJSPAQKEJG-LGHNAOJLSA-N
• XLogP: 4.04
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 162362275) is N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)N[C@H](C(=O)Nc1cnc(-c2c(C)cnn2C)c(F)c1)C1CCC(C)CC1.

What is the InChIKey of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The InChIKey is UVNIDJSPAQKEJG-LGHNAOJLSA-N. The full InChI is InChI=1S/C25H31FN6O3/c1-5-20-18(13-35-31-20)24(33)30-21(16-8-6-14(2)7-9-16)25(34)29-17-10-19(26)22(27-12-17)23-15(3)11-28-32(23)4/h10-14,16,21H,5-9H2,1-4H3,(H,29,34)(H,30,33)/t14?,16?,21-/m0/s1.

What are the key properties of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).