[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine

C34H43F5N8O — CID 158205230

About [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine

[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine (PubChem CID 158205230) has the molecular formula C34H43F5N8O and a molecular weight of 674.76 g/mol. Its IUPAC name is [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine
• PubChem CID: 158205230
• Molecular Formula: C34H43F5N8O
• Molecular Weight: 674.76 g/mol
• Exact Mass: 674.35
• IUPAC Name: [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine
• SMILES: Cc1cc(C)n(-c2cc(CF)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C17H21F3N4.C17H22F2N4O/c1-11-7-12(2)24(23-11)16-9-13(10-18)8-15(22-16)21-14-3-5-17(19,20)6-4-14;1-11-7-12(2)23(22-11)16-9-13(10-24)8-15(21-16)20-14-3-5-17(18,19)6-4-14/h7-9,14H,3-6,10H2,1-2H3,(H,21,22);7-9,14,24H,3-6,10H2,1-2H3,(H,20,21)
• InChIKey: GBKLVWAIORWIID-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 105.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.76
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine?

The IUPAC name of [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine (CID 158205230) is [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine.

What is the SMILES notation for [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine?

The canonical SMILES for [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine is Cc1cc(C)n(-c2cc(CF)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.

What is the InChIKey of [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine?

The InChIKey is GBKLVWAIORWIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4.C17H22F2N4O/c1-11-7-12(2)24(23-11)16-9-13(10-18)8-15(22-16)21-14-3-5-17(19,20)6-4-14;1-11-7-12(2)23(22-11)16-9-13(10-24)8-15(21-16)20-14-3-5-17(18,19)6-4-14/h7-9,14H,3-6,10H2,1-2H3,(H,21,22);7-9,14,24H,3-6,10H2,1-2H3,(H,20,21).

What are the key properties of [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine?

[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine has a molecular weight of 674.76 g/mol, XLogP of 7.71, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158205230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).