5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide

C26H38F2N4O4 — CID 158826043

About 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide

5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide (PubChem CID 158826043) has the molecular formula C26H38F2N4O4 and a molecular weight of 508.61 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide
• PubChem CID: 158826043
• Molecular Formula: C26H38F2N4O4
• Molecular Weight: 508.61 g/mol
• Exact Mass: 508.29
• IUPAC Name: 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F
• InChI: InChI=1S/C26H38F2N4O4/c1-7-32-22(18-13-29-17(12-25(4,5)6)11-19(18)36-24(27)28)16(3)21(31-32)23(34)30-14-26(35)9-8-15(2)10-20(26)33/h11,13,15,20,24,33,35H,7-10,12,14H2,1-6H3,(H,30,34)/t15-,20-,26-/m0/s1
• InChIKey: FMOXLRHJWAGIPR-MMUYJNCRSA-N
• XLogP: 4.11
• TPSA: 109.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.61
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide?

The IUPAC name of 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide (CID 158826043) is 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide.

What is the SMILES notation for 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide?

The canonical SMILES for 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide is CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.

What is the InChIKey of 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide?

The InChIKey is FMOXLRHJWAGIPR-MMUYJNCRSA-N. The full InChI is InChI=1S/C26H38F2N4O4/c1-7-32-22(18-13-29-17(12-25(4,5)6)11-19(18)36-24(27)28)16(3)21(31-32)23(34)30-14-26(35)9-8-15(2)10-20(26)33/h11,13,15,20,24,33,35H,7-10,12,14H2,1-6H3,(H,30,34)/t15-,20-,26-/m0/s1.

What are the key properties of 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide?

5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide has a molecular weight of 508.61 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 158826043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).