1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride

C73H92ClF8N19O5 — CID 157135994

About 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride

1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride (PubChem CID 157135994) has the molecular formula C73H92ClF8N19O5 and a molecular weight of 1503.10 g/mol. Its IUPAC name is 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride.

Molecular Properties

• Compound Name: 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride
• PubChem CID: 157135994
• Molecular Formula: C73H92ClF8N19O5
• Molecular Weight: 1503.10 g/mol
• Exact Mass: 1501.71
• IUPAC Name: 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride
• SMILES: CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.CN(C)C(=O)Cl.Cc1ccn(-c2cc(C(C)O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(C(C)OC(=O)N(C)C)cc(NC3CCC(F)(F)CC3)n2)n1.[C-]#[N+]c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1
• InChI: InChI=1S/C20H27F2N5O2.C17H22F2N4O.C17H20F2N4O.C16H17F2N5.C3H6ClNO/c1-13-7-10-27(25-13)18-12-15(14(2)29-19(28)26(3)4)11-17(24-18)23-16-5-8-20(21,22)9-6-16;2*1-11-5-8-23(22-11)16-10-13(12(2)24)9-15(21-16)20-14-3-6-17(18,19)7-4-14;1-11-5-8-23(22-11)15-10-13(19-2)9-14(21-15)20-12-3-6-16(17,18)7-4-12;1-5(2)3(4)6/h7,10-12,14,16H,5-6,8-9H2,1-4H3,(H,23,24);5,8-10,12,14,24H,3-4,6-7H2,1-2H3,(H,20,21);5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,21);5,8-10,12H,3-4,6-7H2,1H3,(H,20,21);1-2H3
• InChIKey: AJPYOMIYNVNVLN-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 262.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.10
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride?

The IUPAC name of 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride (CID 157135994) is 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride.

What is the SMILES notation for 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride?

The canonical SMILES for 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride is CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.CN(C)C(=O)Cl.Cc1ccn(-c2cc(C(C)O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(C(C)OC(=O)N(C)C)cc(NC3CCC(F)(F)CC3)n2)n1.[C-]#[N+]c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.

What is the InChIKey of 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride?

The InChIKey is AJPYOMIYNVNVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O2.C17H22F2N4O.C17H20F2N4O.C16H17F2N5.C3H6ClNO/c1-13-7-10-27(25-13)18-12-15(14(2)29-19(28)26(3)4)11-17(24-18)23-16-5-8-20(21,22)9-6-16;2*1-11-5-8-23(22-11)16-10-13(12(2)24)9-15(21-16)20-14-3-6-17(18,19)7-4-14;1-11-5-8-23(22-11)15-10-13(19-2)9-14(21-15)20-12-3-6-16(17,18)7-4-12;1-5(2)3(4)6/h7,10-12,14,16H,5-6,8-9H2,1-4H3,(H,23,24);5,8-10,12,14,24H,3-4,6-7H2,1-2H3,(H,20,21);5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,21);5,8-10,12H,3-4,6-7H2,1H3,(H,20,21);1-2H3.

What are the key properties of 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride?

1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride has a molecular weight of 1503.10 g/mol, XLogP of 16.73, 16 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride is sourced from PubChem (CID 157135994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).