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

C24H28F2N6O3 — CID 162362429

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

N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 162362429) has the molecular formula C24H28F2N6O3 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 162362429
• Molecular Formula: C24H28F2N6O3
• Molecular Weight: 486.52 g/mol
• Exact Mass: 486.22
• IUPAC Name: N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)cnn2C)cn1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C24H28F2N6O3/c1-4-18-17(13-35-31-18)22(33)30-20(15-7-9-24(25,26)10-8-15)23(34)29-19-6-5-16(12-27-19)21-14(2)11-28-32(21)3/h5-6,11-13,15,20H,4,7-10H2,1-3H3,(H,30,33)(H,27,29,34)/t20-/m0/s1
• InChIKey: UCQKHPSNYSSGIL-FQEVSTJZSA-N
• XLogP: 3.90
• 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	486.52
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 162362429) is N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)cnn2C)cn1)C1CCC(F)(F)CC1.

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

The InChIKey is UCQKHPSNYSSGIL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28F2N6O3/c1-4-18-17(13-35-31-18)22(33)30-20(15-7-9-24(25,26)10-8-15)23(34)29-19-6-5-16(12-27-19)21-14(2)11-28-32(21)3/h5-6,11-13,15,20H,4,7-10H2,1-3H3,(H,30,33)(H,27,29,34)/t20-/m0/s1.

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

N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).