N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C₁₁₁H₁₁₅FN₃₈O₈ — CID 158215123

About N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 158215123) has the molecular formula C₁₁₁H₁₁₅FN₃₈O₈ and a molecular weight of 2128.40 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
• PubChem CID: 158215123
• Molecular Formula: C₁₁₁H₁₁₅FN₃₈O₈
• Molecular Weight: 2128.40 g/mol
• Exact Mass: 2126.97
• IUPAC Name: N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
• SMILES: COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cc(=O)[nH]1)C2.N[C@@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccc(F)cc3C2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccncc3C2)n1
• InChI: InChI=1S/C24H27N7O4.C22H22FN7O.2C22H22N8O.C21H22N8O/c1-34-20-9-15-13-31(14-16(15)10-21(20)35-2)24-28-17(11-22(32)29-24)23(33)27-18-12-26-4-3-19(18)30-7-5-25-6-8-30;23-17-2-1-15-13-30(14-16(15)11-17)22-26-6-3-18(28-22)21(31)27-19-12-25-5-4-20(19)29-9-7-24-8-10-29;2*23-16-5-3-11-29(14-16)20-8-9-24-13-18(20)27-21(31)17-7-10-25-22(28-17)30-19-6-2-1-4-15(19)12-26-30;30-20(26-18-12-24-5-3-19(18)28-9-7-22-8-10-28)17-2-6-25-21(27-17)29-13-15-1-4-23-11-16(15)14-29/h3-4,9-12,25H,5-8,13-14H2,1-2H3,(H,27,33)(H,28,29,32);1-6,11-12,24H,7-10,13-14H2,(H,27,31);2*1-2,4,6-10,12-13,16H,3,5,11,14,23H2,(H,27,31);1-6,11-12,22H,7-10,13-14H2,(H,26,30)/t;;2*16-;/m..10./s1
• InChIKey: GCOBXAUYIWCOHE-ILXICOIMSA-N
• XLogP: 9.79
• TPSA: 539.86 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.40
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?

The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 158215123) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?

The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cc(=O)[nH]1)C2.N[C@@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccc(F)cc3C2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccncc3C2)n1.

What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?

The InChIKey is GCOBXAUYIWCOHE-ILXICOIMSA-N. The full InChI is InChI=1S/C24H27N7O4.C22H22FN7O.2C22H22N8O.C21H22N8O/c1-34-20-9-15-13-31(14-16(15)10-21(20)35-2)24-28-17(11-22(32)29-24)23(33)27-18-12-26-4-3-19(18)30-7-5-25-6-8-30;23-17-2-1-15-13-30(14-16(15)11-17)22-26-6-3-18(28-22)21(31)27-19-12-25-5-4-20(19)29-9-7-24-8-10-29;2*23-16-5-3-11-29(14-16)20-8-9-24-13-18(20)27-21(31)17-7-10-25-22(28-17)30-19-6-2-1-4-15(19)12-26-30;30-20(26-18-12-24-5-3-19(18)28-9-7-22-8-10-28)17-2-6-25-21(27-17)29-13-15-1-4-23-11-16(15)14-29/h3-4,9-12,25H,5-8,13-14H2,1-2H3,(H,27,33)(H,28,29,32);1-6,11-12,24H,7-10,13-14H2,(H,27,31);2*1-2,4,6-10,12-13,16H,3,5,11,14,23H2,(H,27,31);1-6,11-12,22H,7-10,13-14H2,(H,26,30)/t;;2*16-;/m..10./s1.

What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 2128.40 g/mol, XLogP of 9.79, 22 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-ylpyrimidine-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide;2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158215123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158215123 — identifiers, structure, computed properties (public domain)

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