4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine

C₄₀H₅₃ClF₄N₁₆ — CID 162101605

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine (PubChem CID 162101605) has the molecular formula C₄₀H₅₃ClF₄N₁₆ and a molecular weight of 869.42 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine.

Molecular Properties

• Compound Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine
• PubChem CID: 162101605
• Molecular Formula: C₄₀H₅₃ClF₄N₁₆
• Molecular Weight: 869.42 g/mol
• Exact Mass: 868.43
• IUPAC Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine
• SMILES: Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NCc3cnn(C)n3)cc(NC3CCC(F)(F)CC3)n2)n1.Cn1ncc(CN)n1
• InChI: InChI=1S/C20H26F2N8.C16H19ClF2N4.C4H8N4/c1-13-8-14(2)30(27-13)19-10-16(23-11-17-12-24-29(3)28-17)9-18(26-19)25-15-4-6-20(21,22)7-5-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-8-6-3-4(2-5)7-8/h8-10,12,15H,4-7,11H2,1-3H3,(H2,23,25,26);7-9,13H,3-6H2,1-2H3,(H,20,21);3H,2,5H2,1H3
• InChIKey: ZEYPAEORVLVKIP-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 184.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.42
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine?

The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine (CID 162101605) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine.

What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine?

The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine is Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NCc3cnn(C)n3)cc(NC3CCC(F)(F)CC3)n2)n1.Cn1ncc(CN)n1.

What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine?

The InChIKey is ZEYPAEORVLVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N8.C16H19ClF2N4.C4H8N4/c1-13-8-14(2)30(27-13)19-10-16(23-11-17-12-24-29(3)28-17)9-18(26-19)25-15-4-6-20(21,22)7-5-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-8-6-3-4(2-5)7-8/h8-10,12,15H,4-7,11H2,1-3H3,(H2,23,25,26);7-9,13H,3-6H2,1-2H3,(H,20,21);3H,2,5H2,1H3.

What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine?

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine has a molecular weight of 869.42 g/mol, XLogP of 7.42, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(2-methyltriazol-4-yl)methyl]pyridine-2,4-diamine;(2-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 162101605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162101605 — identifiers, structure, computed properties (public domain)

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