N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide

C138H171Cl2F6N47O6 — CID 158366003

About N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide

N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 158366003) has the molecular formula C138H171Cl2F6N47O6 and a molecular weight of 2769.10 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide
• PubChem CID: 158366003
• Molecular Formula: C138H171Cl2F6N47O6
• Molecular Weight: 2769.10 g/mol
• Exact Mass: 2766.38
• IUPAC Name: N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide
• SMILES: C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@H](Nc2nc(-c3nn(C)c4ncccc34)ncc2F)C1.C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4nn(C)c5ncccc45)ncc3F)C2)C1.C[C@H]1CCN(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4nn(C)c5ncccc45)ncc3F)C2)C1.C[C@H]1CCN(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4nn(C)c5ncccc45)ncc3F)C2)C1.Cn1nc(-c2ncc(F)c(N[C@H]3CCC[C@@H](NC(=O)N4CCCC4)C3)n2)c2cc(Cl)cnc21.Cn1nc(-c2ncc(F)c(N[C@H]3CCC[C@@H](NC(=O)N4CCCCC4)C3)n2)c2cc(Cl)ccc21
• InChI: InChI=1S/C24H29ClFN7O.4C23H29FN8O.C22H26ClFN8O/c1-32-20-9-8-15(25)12-18(20)21(31-32)23-27-14-19(26)22(30-23)28-16-6-5-7-17(13-16)29-24(34)33-10-3-2-4-11-33;1-14-6-5-11-32(14)23(33)28-16-8-3-7-15(12-16)27-20-18(24)13-26-21(29-20)19-17-9-4-10-25-22(17)31(2)30-19;3*1-14-8-10-32(13-14)23(33)28-16-6-3-5-15(11-16)27-20-18(24)12-26-21(29-20)19-17-7-4-9-25-22(17)31(2)30-19;1-31-21-16(9-13(23)11-26-21)18(30-31)20-25-12-17(24)19(29-20)27-14-5-4-6-15(10-14)28-22(33)32-7-2-3-8-32/h8-9,12,14,16-17H,2-7,10-11,13H2,1H3,(H,29,34)(H,27,28,30);4,9-10,13-16H,3,5-8,11-12H2,1-2H3,(H,28,33)(H,26,27,29);3*4,7,9,12,14-16H,3,5-6,8,10-11,13H2,1-2H3,(H,28,33)(H,26,27,29);9,11-12,14-15H,2-8,10H2,1H3,(H,28,33)(H,25,27,29)/t16-,17+;2*14-,15+,16-;2*14-,15-,16+;14-,15+/m011000/s1
• InChIKey: GUAPLENQOQAABM-CFVPOQSUSA-N
• XLogP: 21.99
• TPSA: 592.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2769.10
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide?

The IUPAC name of N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide (CID 158366003) is N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide.

What is the SMILES notation for N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide?

The canonical SMILES for N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide is C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@H](Nc2nc(-c3nn(C)c4ncccc34)ncc2F)C1.C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4nn(C)c5ncccc45)ncc3F)C2)C1.C[C@H]1CCN(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4nn(C)c5ncccc45)ncc3F)C2)C1.C[C@H]1CCN(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4nn(C)c5ncccc45)ncc3F)C2)C1.Cn1nc(-c2ncc(F)c(N[C@H]3CCC[C@@H](NC(=O)N4CCCC4)C3)n2)c2cc(Cl)cnc21.Cn1nc(-c2ncc(F)c(N[C@H]3CCC[C@@H](NC(=O)N4CCCCC4)C3)n2)c2cc(Cl)ccc21.

What is the InChIKey of N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide?

The InChIKey is GUAPLENQOQAABM-CFVPOQSUSA-N. The full InChI is InChI=1S/C24H29ClFN7O.4C23H29FN8O.C22H26ClFN8O/c1-32-20-9-8-15(25)12-18(20)21(31-32)23-27-14-19(26)22(30-23)28-16-6-5-7-17(13-16)29-24(34)33-10-3-2-4-11-33;1-14-6-5-11-32(14)23(33)28-16-8-3-7-15(12-16)27-20-18(24)13-26-21(29-20)19-17-9-4-10-25-22(17)31(2)30-19;3*1-14-8-10-32(13-14)23(33)28-16-6-3-5-15(11-16)27-20-18(24)12-26-21(29-20)19-17-7-4-9-25-22(17)31(2)30-19;1-31-21-16(9-13(23)11-26-21)18(30-31)20-25-12-17(24)19(29-20)27-14-5-4-6-15(10-14)28-22(33)32-7-2-3-8-32/h8-9,12,14,16-17H,2-7,10-11,13H2,1H3,(H,29,34)(H,27,28,30);4,9-10,13-16H,3,5-8,11-12H2,1-2H3,(H,28,33)(H,26,27,29);3*4,7,9,12,14-16H,3,5-6,8,10-11,13H2,1-2H3,(H,28,33)(H,26,27,29);9,11-12,14-15H,2-8,10H2,1H3,(H,28,33)(H,25,27,29)/t16-,17+;2*14-,15+,16-;2*14-,15-,16+;14-,15+/m011000/s1.

What are the key properties of N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide?

N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 2769.10 g/mol, XLogP of 21.99, 24 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R,3S)-3-[[2-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(2R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;bis((3S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide);(3R)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 158366003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).