[1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride

C₉₃H₁₁₂Cl₅F₈N₂₃O₁₁ — CID 159900861

About [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride

[1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride (PubChem CID 159900861) has the molecular formula C₉₃H₁₁₂Cl₅F₈N₂₃O₁₁ and a molecular weight of 2057.32 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride.

Molecular Properties

• Compound Name: [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride
• PubChem CID: 159900861
• Molecular Formula: C₉₃H₁₁₂Cl₅F₈N₂₃O₁₁
• Molecular Weight: 2057.32 g/mol
• Exact Mass: 2053.72
• IUPAC Name: [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride
• SMILES: CC(C)C(=O)CCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(COC(=O)C(C)C)n2)c1.CC(C)C(=O)Cl.CCOC(=O)c1ccn(-c2cc(C#N)cc(Cl)n2)n1.CCOC(=O)c1ccn(-c2cc(C#N)cc(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn[nH]1.Cl.N#Cc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)c1
• InChI: InChI=1S/C25H34F2N4O3.C18H19F2N5O2.C16H21F2N5O.C12H9ClN4O2.C6H2Cl2N2.C6H11F2N.C6H8N2O2.C4H7ClO.ClH/c1-16(2)21(32)6-5-18-13-22(28-19-7-10-25(26,27)11-8-19)29-23(14-18)31-12-9-20(30-31)15-34-24(33)17(3)4;1-2-27-17(26)14-5-8-25(24-14)16-10-12(11-21)9-15(23-16)22-13-3-6-18(19,20)7-4-13;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;1-2-19-12(18)9-3-4-17(16-9)11-6-8(7-14)5-10(13)15-11;7-5-1-4(3-9)2-6(8)10-5;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;1-3(2)4(5)6;/h9,12-14,16-17,19H,5-8,10-11,15H2,1-4H3,(H,28,29);5,8-10,13H,2-4,6-7H2,1H3,(H,22,23);3,6-8,12,24H,1-2,4-5,9-10,19H2,(H,20,21);3-6H,2H2,1H3;1-2H;5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);3H,1-2H3;1H
• InChIKey: VRABWAXJTARHSS-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 483.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2057.32
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride?

The IUPAC name of [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride (CID 159900861) is [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride.

What is the SMILES notation for [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride?

The canonical SMILES for [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride is CC(C)C(=O)CCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(COC(=O)C(C)C)n2)c1.CC(C)C(=O)Cl.CCOC(=O)c1ccn(-c2cc(C#N)cc(Cl)n2)n1.CCOC(=O)c1ccn(-c2cc(C#N)cc(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn[nH]1.Cl.N#Cc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.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;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride?

The InChIKey is VRABWAXJTARHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N4O3.C18H19F2N5O2.C16H21F2N5O.C12H9ClN4O2.C6H2Cl2N2.C6H11F2N.C6H8N2O2.C4H7ClO.ClH/c1-16(2)21(32)6-5-18-13-22(28-19-7-10-25(26,27)11-8-19)29-23(14-18)31-12-9-20(30-31)15-34-24(33)17(3)4;1-2-27-17(26)14-5-8-25(24-14)16-10-12(11-21)9-15(23-16)22-13-3-6-18(19,20)7-4-13;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;1-2-19-12(18)9-3-4-17(16-9)11-6-8(7-14)5-10(13)15-11;7-5-1-4(3-9)2-6(8)10-5;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;1-3(2)4(5)6;/h9,12-14,16-17,19H,5-8,10-11,15H2,1-4H3,(H,28,29);5,8-10,13H,2-4,6-7H2,1H3,(H,22,23);3,6-8,12,24H,1-2,4-5,9-10,19H2,(H,20,21);3-6H,2H2,1H3;1-2H;5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);3H,1-2H3;1H.

What are the key properties of [1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride?

[1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride has a molecular weight of 2057.32 g/mol, XLogP of 18.80, 26 rotatable bonds, 7 hydrogen bond donors, and 33 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;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;[1-[6-[(4,4-difluorocyclohexyl)amino]-4-(4-methyl-3-oxopentyl)-2-pyridinyl]pyrazol-3-yl]methyl 2-methylpropanoate;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2-methylpropanoyl chloride;hydrochloride is sourced from PubChem (CID 159900861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159900861 — identifiers, structure, computed properties (public domain)

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