2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine

C₃₂H₃₆F₆N₈O — CID 158913695

About 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine

2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine (PubChem CID 158913695) has the molecular formula C₃₂H₃₆F₆N₈O and a molecular weight of 662.68 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine
• PubChem CID: 158913695
• Molecular Formula: C₃₂H₃₆F₆N₈O
• Molecular Weight: 662.68 g/mol
• Exact Mass: 662.29
• IUPAC Name: 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine
• SMILES: Cc1ccn(-c2cc(C(F)F)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(C=O)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C16H18F4N4.C16H18F2N4O/c1-10-4-7-24(23-10)14-9-11(15(17)18)8-13(22-14)21-12-2-5-16(19,20)6-3-12;1-11-4-7-22(21-11)15-9-12(10-23)8-14(20-15)19-13-2-5-16(17,18)6-3-13/h4,7-9,12,15H,2-3,5-6H2,1H3,(H,21,22);4,7-10,13H,2-3,5-6H2,1H3,(H,19,20)
• InChIKey: JGYVKQSUASOYIL-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 102.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.68
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine?

The IUPAC name of 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine (CID 158913695) is 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine.

What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine?

The canonical SMILES for 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine is Cc1ccn(-c2cc(C(F)F)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(C=O)cc(NC3CCC(F)(F)CC3)n2)n1.

What is the InChIKey of 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine?

The InChIKey is JGYVKQSUASOYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N4.C16H18F2N4O/c1-10-4-7-24(23-10)14-9-11(15(17)18)8-13(22-14)21-12-2-5-16(19,20)6-3-12;1-11-4-7-22(21-11)15-9-12(10-23)8-14(20-15)19-13-2-5-16(17,18)6-3-13/h4,7-9,12,15H,2-3,5-6H2,1H3,(H,21,22);4,7-10,13H,2-3,5-6H2,1H3,(H,19,20).

What are the key properties of 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine?

2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine has a molecular weight of 662.68 g/mol, XLogP of 7.88, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 158913695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158913695 — identifiers, structure, computed properties (public domain)

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