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

C69H84F10N16O3 — CID 162127555

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

2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine (PubChem CID 162127555) has the molecular formula C69H84F10N16O3 and a molecular weight of 1375.52 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine
• PubChem CID: 162127555
• Molecular Formula: C69H84F10N16O3
• Molecular Weight: 1375.52 g/mol
• Exact Mass: 1374.68
• IUPAC Name: 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine
• SMILES: CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)c1.Cc1cc(C)n(-c2cc(C(F)F)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(C=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C18H22F2N4O.C17H20F4N4.C17H22F2N4O.C17H20F2N4O/c1-11-8-12(2)24(23-11)17-10-14(13(3)25)9-16(22-17)21-15-4-6-18(19,20)7-5-15;1-10-7-11(2)25(24-10)15-9-12(16(18)19)8-14(23-15)22-13-3-5-17(20,21)6-4-13;2*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/h8-10,15H,4-7H2,1-3H3,(H,21,22);7-9,13,16H,3-6H2,1-2H3,(H,22,23);7-9,14,24H,3-6,10H2,1-2H3,(H,20,21);7-10,14H,3-6H2,1-2H3,(H,20,21)
• InChIKey: ZIFUSXHYFLVQFC-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 225.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.52
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

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-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine?

The IUPAC name of 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine (CID 162127555) is 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine.

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

The canonical SMILES for 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine is CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)c1.Cc1cc(C)n(-c2cc(C(F)F)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(C=O)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)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine?

The InChIKey is ZIFUSXHYFLVQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O.C17H20F4N4.C17H22F2N4O.C17H20F2N4O/c1-11-8-12(2)24(23-11)17-10-14(13(3)25)9-16(22-17)21-15-4-6-18(19,20)7-5-15;1-10-7-11(2)25(24-10)15-9-12(16(18)19)8-14(23-15)22-13-3-5-17(20,21)6-4-13;2*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/h8-10,15H,4-7H2,1-3H3,(H,21,22);7-9,13,16H,3-6H2,1-2H3,(H,22,23);7-9,14,24H,3-6,10H2,1-2H3,(H,20,21);7-10,14H,3-6H2,1-2H3,(H,20,21).

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

2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine has a molecular weight of 1375.52 g/mol, XLogP of 15.94, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbaldehyde;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]ethanone;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 162127555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).