4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine

C34H42F4N10 — CID 158907115

About 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine

4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine (PubChem CID 158907115) has the molecular formula C34H42F4N10 and a molecular weight of 666.77 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine.

Molecular Properties

• Compound Name: 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine
• PubChem CID: 158907115
• Molecular Formula: C34H42F4N10
• Molecular Weight: 666.77 g/mol
• Exact Mass: 666.35
• IUPAC Name: 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine
• SMILES: Cc1cc(C)n(-c2cc(CN)cc(NC3CCC(F)(F)CC3)n2)n1.[C-]#[N+]c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)c1
• InChI: InChI=1S/C17H19F2N5.C17H23F2N5/c1-11-8-12(2)24(23-11)16-10-14(20-3)9-15(22-16)21-13-4-6-17(18,19)7-5-13;1-11-7-12(2)24(23-11)16-9-13(10-20)8-15(22-16)21-14-3-5-17(18,19)6-4-14/h8-10,13H,4-7H2,1-2H3,(H,21,22);7-9,14H,3-6,10,20H2,1-2H3,(H,21,22)
• InChIKey: JGEIEZLCQKLGGQ-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 115.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.77
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine?

The IUPAC name of 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine (CID 158907115) is 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine.

What is the SMILES notation for 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine?

The canonical SMILES for 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine is Cc1cc(C)n(-c2cc(CN)cc(NC3CCC(F)(F)CC3)n2)n1.[C-]#[N+]c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)c1.

What is the InChIKey of 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine?

The InChIKey is JGEIEZLCQKLGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5.C17H23F2N5/c1-11-8-12(2)24(23-11)16-10-14(20-3)9-15(22-16)21-13-4-6-17(18,19)7-5-13;1-11-7-12(2)24(23-11)16-9-13(10-20)8-15(22-16)21-14-3-5-17(18,19)6-4-14/h8-10,13H,4-7H2,1-2H3,(H,21,22);7-9,14H,3-6,10,20H2,1-2H3,(H,21,22).

What are the key properties of 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine?

4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine has a molecular weight of 666.77 g/mol, XLogP of 7.76, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-isocyanopyridin-2-amine is sourced from PubChem (CID 158907115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).