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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine

C40H51ClF4N14O2 — CID 161375840

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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 161375840) has the molecular formula C40H51ClF4N14O2 and a molecular weight of 871.39 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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
• PubChem CID: 161375840
• Molecular Formula: C40H51ClF4N14O2
• Molecular Weight: 871.39 g/mol
• Exact Mass: 870.39
• 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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
• SMILES: Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NCc3nnc(C)o3)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1nnc(CN)o1
• InChI: InChI=1S/C20H25F2N7O.C16H19ClF2N4.C4H7N3O/c1-12-8-13(2)29(28-12)18-10-16(23-11-19-27-26-14(3)30-19)9-17(25-18)24-15-4-6-20(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;1-3-6-7-4(2-5)8-3/h8-10,15H,4-7,11H2,1-3H3,(H2,23,24,25);7-9,13H,3-6H2,1-2H3,(H,20,21);2,5H2,1H3
• InChIKey: VRBJVXGYYTZVJT-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 201.37 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	871.39
LogP ≤ 5	8.54
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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (CID 161375840) 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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NCc3nnc(C)o3)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1nnc(CN)o1.

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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?

The InChIKey is VRBJVXGYYTZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N7O.C16H19ClF2N4.C4H7N3O/c1-12-8-13(2)29(28-12)18-10-16(23-11-19-27-26-14(3)30-19)9-17(25-18)24-15-4-6-20(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;1-3-6-7-4(2-5)8-3/h8-10,15H,4-7,11H2,1-3H3,(H2,23,24,25);7-9,13H,3-6H2,1-2H3,(H,20,21);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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 871.39 g/mol, XLogP of 8.54, 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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 161375840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).