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

C114H117N37O8 — CID 158128789

IUPACN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cc(=O)[nH]1)C2.N[C@@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1
InChIInChI=1S/C24H27N7O4.2C23H23N7O.2C22H22N8O/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;2*24-17-7-5-13-29(15-17)21-10-4-2-8-18(21)27-22(31)19-11-12-25-23(28-19)30-20-9-3-1-6-16(20)14-26-30;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/h3-4,9-12,25H,5-8,13-14H2,1-2H3,(H,27,33)(H,28,29,32);2*1-4,6,8-12,14,17H,5,7,13,15,24H2,(H,27,31);2*1-2,4,6-10,12-13,16H,3,5,11,14,23H2,(H,27,31)/t;2*17-;2*16-/m.1010/s1
InChIKeyFSMXUOPFKRABCT-BHOKIRMFSA-N
MW2133.44 g/mol
LogP12.14
Rot. Bonds22

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

N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide (PubChem CID 158128789) has the molecular formula C114H117N37O8 and a molecular weight of 2133.44 g/mol. Its IUPAC name is N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide
PubChem CID158128789
Molecular FormulaC114H117N37O8
Molecular Weight2133.44 g/mol
Exact Mass2131.99
IUPAC NameN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cc(=O)[nH]1)C2.N[C@@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1
InChIInChI=1S/C24H27N7O4.2C23H23N7O.2C22H22N8O/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;2*24-17-7-5-13-29(15-17)21-10-4-2-8-18(21)27-22(31)19-11-12-25-23(28-19)30-20-9-3-1-6-16(20)14-26-30;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/h3-4,9-12,25H,5-8,13-14H2,1-2H3,(H,27,33)(H,28,29,32);2*1-4,6,8-12,14,17H,5,7,13,15,24H2,(H,27,31);2*1-2,4,6-10,12-13,16H,3,5,11,14,23H2,(H,27,31)/t;2*17-;2*16-/m.1010/s1
InChIKeyFSMXUOPFKRABCT-BHOKIRMFSA-N
XLogP12.14
TPSA558.33 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds22
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002133.44
LogP ≤ 512.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide (CID 158128789) is N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide is COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cc(=O)[nH]1)C2.N[C@@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.N[C@H]1CCCN(c2ccncc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.
What is the InChIKey of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is FSMXUOPFKRABCT-BHOKIRMFSA-N. The full InChI is InChI=1S/C24H27N7O4.2C23H23N7O.2C22H22N8O/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;2*24-17-7-5-13-29(15-17)21-10-4-2-8-18(21)27-22(31)19-11-12-25-23(28-19)30-20-9-3-1-6-16(20)14-26-30;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/h3-4,9-12,25H,5-8,13-14H2,1-2H3,(H,27,33)(H,28,29,32);2*1-4,6,8-12,14,17H,5,7,13,15,24H2,(H,27,31);2*1-2,4,6-10,12-13,16H,3,5,11,14,23H2,(H,27,31)/t;2*17-;2*16-/m.1010/s1.
What are the key properties of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide?
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 2133.44 g/mol, XLogP of 12.14, 22 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide;N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-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-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-6-oxo-N-(4-piperazin-1-yl-3-pyridinyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 158128789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).