N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine)

C127H159ClF16N30O11S — CID 158631807

About N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine)

N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine) (PubChem CID 158631807) has the molecular formula C127H159ClF16N30O11S and a molecular weight of 2653.36 g/mol. Its IUPAC name is N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine).

Molecular Properties

• Compound Name: N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine)
• PubChem CID: 158631807
• Molecular Formula: C127H159ClF16N30O11S
• Molecular Weight: 2653.36 g/mol
• Exact Mass: 2651.20
• IUPAC Name: N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine)
• SMILES: CS(=O)(=O)OC1CCC(F)(F)CC1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C#N)c(Nc2cnn(C3CCC(F)(F)CC3)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C3CCC(F)(F)CC3)c2)n1.Nc1cnn(C2CCC(F)(F)CC2)c1.Nc1cnn(C2CCC(F)(F)CC2)c1.O=C1CCC(F)(F)CC1.O=[N+]([O-])c1cnn(C2CCC(F)(F)CC2)c1.OC1CCC(F)(F)CC1.[C-]#[N+]c1ncc(N2CCCC(NC(=O)c3ccc(C4CC4)cc3)[C@H]2C)nc1Cl
• InChI: InChI=1S/C30H36F2N8O2.C30H34F2N8O.C21H22ClN5O.C9H11F2N3O2.2C9H13F2N3.C7H12F2O3S.C6H10F2O.C6H8F2O/c1-18-24(37-29(42)21-8-6-20(7-9-21)19-4-5-19)3-2-14-39(18)25-16-34-26(27(33)41)28(38-25)36-22-15-35-40(17-22)23-10-12-30(31,32)13-11-23;1-19-25(37-29(41)22-8-6-21(7-9-22)20-4-5-20)3-2-14-39(19)27-17-34-26(15-33)28(38-27)36-23-16-35-40(18-23)24-10-12-30(31,32)13-11-24;1-13-17(25-21(28)16-9-7-15(8-10-16)14-5-6-14)4-3-11-27(13)18-12-24-20(23-2)19(22)26-18;10-9(11)3-1-7(2-4-9)13-6-8(5-12-13)14(15)16;2*10-9(11)3-1-8(2-4-9)14-6-7(12)5-13-14;1-13(10,11)12-6-2-4-7(8,9)5-3-6;2*7-6(8)3-1-5(9)2-4-6/h6-9,15-19,23-24H,2-5,10-14H2,1H3,(H2,33,41)(H,36,38)(H,37,42);6-9,16-20,24-25H,2-5,10-14H2,1H3,(H,36,38)(H,37,41);7-10,12-14,17H,3-6,11H2,1H3,(H,25,28);5-7H,1-4H2;2*5-6,8H,1-4,12H2;6H,2-5H2,1H3;5,9H,1-4H2;1-4H2/t18-,24-;19-,25-;13-,17?;;;;;;/m111....../s1
• InChIKey: HZHCYNYJFKWBSU-CQKACCTNSA-N
• XLogP: 26.81
• TPSA: 534.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.36
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine)?

The IUPAC name of N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine) (CID 158631807) is N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine).

What is the SMILES notation for N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine)?

The canonical SMILES for N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine) is CS(=O)(=O)OC1CCC(F)(F)CC1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C#N)c(Nc2cnn(C3CCC(F)(F)CC3)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C3CCC(F)(F)CC3)c2)n1.Nc1cnn(C2CCC(F)(F)CC2)c1.Nc1cnn(C2CCC(F)(F)CC2)c1.O=C1CCC(F)(F)CC1.O=[N+]([O-])c1cnn(C2CCC(F)(F)CC2)c1.OC1CCC(F)(F)CC1.[C-]#[N+]c1ncc(N2CCCC(NC(=O)c3ccc(C4CC4)cc3)[C@H]2C)nc1Cl.

What is the InChIKey of N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine)?

The InChIKey is HZHCYNYJFKWBSU-CQKACCTNSA-N. The full InChI is InChI=1S/C30H36F2N8O2.C30H34F2N8O.C21H22ClN5O.C9H11F2N3O2.2C9H13F2N3.C7H12F2O3S.C6H10F2O.C6H8F2O/c1-18-24(37-29(42)21-8-6-20(7-9-21)19-4-5-19)3-2-14-39(18)25-16-34-26(27(33)41)28(38-25)36-22-15-35-40(17-22)23-10-12-30(31,32)13-11-23;1-19-25(37-29(41)22-8-6-21(7-9-22)20-4-5-20)3-2-14-39(19)27-17-34-26(15-33)28(38-27)36-23-16-35-40(18-23)24-10-12-30(31,32)13-11-24;1-13-17(25-21(28)16-9-7-15(8-10-16)14-5-6-14)4-3-11-27(13)18-12-24-20(23-2)19(22)26-18;10-9(11)3-1-7(2-4-9)13-6-8(5-12-13)14(15)16;2*10-9(11)3-1-8(2-4-9)14-6-7(12)5-13-14;1-13(10,11)12-6-2-4-7(8,9)5-3-6;2*7-6(8)3-1-5(9)2-4-6/h6-9,15-19,23-24H,2-5,10-14H2,1H3,(H2,33,41)(H,36,38)(H,37,42);6-9,16-20,24-25H,2-5,10-14H2,1H3,(H,36,38)(H,37,41);7-10,12-14,17H,3-6,11H2,1H3,(H,25,28);5-7H,1-4H2;2*5-6,8H,1-4,12H2;6H,2-5H2,1H3;5,9H,1-4H2;1-4H2/t18-,24-;19-,25-;13-,17?;;;;;;/m111....../s1.

What are the key properties of N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine)?

N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine) has a molecular weight of 2653.36 g/mol, XLogP of 26.81, 25 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide;4,4-difluorocyclohexan-1-ol;4,4-difluorocyclohexan-1-one;(4,4-difluorocyclohexyl) methanesulfonate;1-(4,4-difluorocyclohexyl)-4-nitropyrazole;bis(1-(4,4-difluorocyclohexyl)pyrazol-4-amine) is sourced from PubChem (CID 158631807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).