2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine

C60H81F6N15O3 — CID 159393164

About 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine

2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine (PubChem CID 159393164) has the molecular formula C60H81F6N15O3 and a molecular weight of 1174.40 g/mol. Its IUPAC name is 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine
• PubChem CID: 159393164
• Molecular Formula: C60H81F6N15O3
• Molecular Weight: 1174.40 g/mol
• Exact Mass: 1173.66
• IUPAC Name: 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine
• SMILES: Cc1cc(C)n(-c2cc(N(C)C3COC3)cc(N(C)C3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N(C)C3COC3)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NC3COC3)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C21H29F2N5O.C20H27F2N5O.C19H25F2N5O/c1-14-9-15(2)28(25-14)20-11-17(26(3)18-12-29-13-18)10-19(24-20)27(4)16-5-7-21(22,23)8-6-16;1-13-8-14(2)27(25-13)19-10-16(26(3)17-11-28-12-17)9-18(24-19)23-15-4-6-20(21,22)7-5-15;1-12-7-13(2)26(25-12)18-9-15(22-16-10-27-11-16)8-17(24-18)23-14-3-5-19(20,21)6-4-14/h9-11,16,18H,5-8,12-13H2,1-4H3;8-10,15,17H,4-7,11-12H2,1-3H3,(H,23,24);7-9,14,16H,3-6,10-11H2,1-2H3,(H2,22,23,24)
• InChIKey: LMJOFZRKXGUULX-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 165.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1174.40
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine?

The IUPAC name of 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine (CID 159393164) is 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine.

What is the SMILES notation for 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine?

The canonical SMILES for 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine is Cc1cc(C)n(-c2cc(N(C)C3COC3)cc(N(C)C3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N(C)C3COC3)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NC3COC3)cc(NC3CCC(F)(F)CC3)n2)n1.

What is the InChIKey of 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine?

The InChIKey is LMJOFZRKXGUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N5O.C20H27F2N5O.C19H25F2N5O/c1-14-9-15(2)28(25-14)20-11-17(26(3)18-12-29-13-18)10-19(24-20)27(4)16-5-7-21(22,23)8-6-16;1-13-8-14(2)27(25-13)19-10-16(26(3)17-11-28-12-17)9-18(24-19)23-15-4-6-20(21,22)7-5-15;1-12-7-13(2)26(25-12)18-9-15(22-16-10-27-11-16)8-17(24-18)23-14-3-5-19(20,21)6-4-14/h9-11,16,18H,5-8,12-13H2,1-4H3;8-10,15,17H,4-7,11-12H2,1-3H3,(H,23,24);7-9,14,16H,3-6,10-11H2,1-2H3,(H2,22,23,24).

What are the key properties of 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine?

2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine has a molecular weight of 1174.40 g/mol, XLogP of 11.13, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-dimethyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-diamine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(oxetan-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 159393164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).