[1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride

C60H81ClF7N15O5 — CID 160641652

About [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride

[1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride (PubChem CID 160641652) has the molecular formula C60H81ClF7N15O5 and a molecular weight of 1260.85 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride.

Molecular Properties

• Compound Name: [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride
• PubChem CID: 160641652
• Molecular Formula: C60H81ClF7N15O5
• Molecular Weight: 1260.85 g/mol
• Exact Mass: 1259.61
• IUPAC Name: [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride
• SMILES: CC(C)C(=O)Cl.CC(C)C(=O)NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CF)n2)c1.CC(C)C(=O)NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)c1.NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)c1
• InChI: InChI=1S/C20H26F3N5O.C20H27F2N5O2.C16H21F2N5O.C4H7ClO/c1-13(2)19(29)24-12-14-9-17(25-15-3-6-20(22,23)7-4-15)26-18(10-14)28-8-5-16(11-21)27-28;1-13(2)19(29)23-11-14-9-17(24-15-3-6-20(21,22)7-4-15)25-18(10-14)27-8-5-16(12-28)26-27;17-16(18)4-1-12(2-5-16)20-14-7-11(9-19)8-15(21-14)23-6-3-13(10-24)22-23;1-3(2)4(5)6/h5,8-10,13,15H,3-4,6-7,11-12H2,1-2H3,(H,24,29)(H,25,26);5,8-10,13,15,28H,3-4,6-7,11-12H2,1-2H3,(H,23,29)(H,24,25);3,6-8,12,24H,1-2,4-5,9-10,19H2,(H,20,21);3H,1-2H3
• InChIKey: RJGGGZAIELVIFF-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 269.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1260.85
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride?

The IUPAC name of [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride (CID 160641652) is [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride.

What is the SMILES notation for [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride?

The canonical SMILES for [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride is CC(C)C(=O)Cl.CC(C)C(=O)NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CF)n2)c1.CC(C)C(=O)NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)c1.NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)c1.

What is the InChIKey of [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride?

The InChIKey is RJGGGZAIELVIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O.C20H27F2N5O2.C16H21F2N5O.C4H7ClO/c1-13(2)19(29)24-12-14-9-17(25-15-3-6-20(22,23)7-4-15)26-18(10-14)28-8-5-16(11-21)27-28;1-13(2)19(29)23-11-14-9-17(24-15-3-6-20(21,22)7-4-15)25-18(10-14)27-8-5-16(12-28)26-27;17-16(18)4-1-12(2-5-16)20-14-7-11(9-19)8-15(21-14)23-6-3-13(10-24)22-23;1-3(2)4(5)6/h5,8-10,13,15H,3-4,6-7,11-12H2,1-2H3,(H,24,29)(H,25,26);5,8-10,13,15,28H,3-4,6-7,11-12H2,1-2H3,(H,23,29)(H,24,25);3,6-8,12,24H,1-2,4-5,9-10,19H2,(H,20,21);3H,1-2H3.

What are the key properties of [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride?

[1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride has a molecular weight of 1260.85 g/mol, XLogP of 10.64, 20 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;N-[[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]methyl]-2-methylpropanamide;2-methylpropanoyl chloride is sourced from PubChem (CID 160641652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).