2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C112H127N35O6S — CID 157192485

IUPAC2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESC.C.C.C.C.CN(C)c1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.COc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ncc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2csc3ccccc23)n1
InChIInChI=1S/C22H21N7O.C22H25N7O.C22H20N6OS.C21H20N8O.C20H21N7O2.5CH4/c30-22(28-19-14-24-7-6-20(19)29-11-9-23-10-12-29)17-5-8-25-21(27-17)18-13-15-3-1-2-4-16(15)26-18;1-28(2)17-5-3-16(4-6-17)21-25-10-7-18(26-21)22(30)27-19-15-24-9-8-20(19)29-13-11-23-12-14-29;29-22(27-18-13-24-7-6-19(18)28-11-9-23-10-12-28)17-5-8-25-21(26-17)16-14-30-20-4-2-1-3-15(16)20;30-21(27-18-13-23-5-4-19(18)29-9-7-22-8-10-29)17-3-6-24-20(26-17)14-1-2-16-15(11-14)12-25-28-16;1-29-18-3-2-14(12-24-18)19-23-7-4-15(25-19)20(28)26-16-13-22-6-5-17(16)27-10-8-21-9-11-27;;;;;/h1-8,13-14,23,26H,9-12H2,(H,28,30);3-10,15,23H,11-14H2,1-2H3,(H,27,30);1-8,13-14,23H,9-12H2,(H,27,29);1-6,11-13,22H,7-10H2,(H,25,28)(H,27,30);2-7,12-13,21H,8-11H2,1H3,(H,26,28);5*1H4
InChIKeyAPWBTFBQOLRXLE-UHFFFAOYSA-N
MW2091.55 g/mol
LogP15.22
Rot. Bonds22

About 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 157192485) has the molecular formula C112H127N35O6S and a molecular weight of 2091.55 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID157192485
Molecular FormulaC112H127N35O6S
Molecular Weight2091.55 g/mol
Exact Mass2090.04
IUPAC Name2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESC.C.C.C.C.CN(C)c1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.COc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ncc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2csc3ccccc23)n1
InChIInChI=1S/C22H21N7O.C22H25N7O.C22H20N6OS.C21H20N8O.C20H21N7O2.5CH4/c30-22(28-19-14-24-7-6-20(19)29-11-9-23-10-12-29)17-5-8-25-21(27-17)18-13-15-3-1-2-4-16(15)26-18;1-28(2)17-5-3-16(4-6-17)21-25-10-7-18(26-21)22(30)27-19-15-24-9-8-20(19)29-13-11-23-12-14-29;29-22(27-18-13-24-7-6-19(18)28-11-9-23-10-12-28)17-5-8-25-21(26-17)16-14-30-20-4-2-1-3-15(16)20;30-21(27-18-13-23-5-4-19(18)29-9-7-22-8-10-29)17-3-6-24-20(26-17)14-1-2-16-15(11-14)12-25-28-16;1-29-18-3-2-14(12-24-18)19-23-7-4-15(25-19)20(28)26-16-13-22-6-5-17(16)27-10-8-21-9-11-27;;;;;/h1-8,13-14,23,26H,9-12H2,(H,28,30);3-10,15,23H,11-14H2,1-2H3,(H,27,30);1-8,13-14,23H,9-12H2,(H,27,29);1-6,11-13,22H,7-10H2,(H,25,28)(H,27,30);2-7,12-13,21H,8-11H2,1H3,(H,26,28);5*1H4
InChIKeyAPWBTFBQOLRXLE-UHFFFAOYSA-N
XLogP15.22
TPSA485.03 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002091.55
LogP ≤ 515.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 157634317
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158286996
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158732130
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methyl-1H-imidazol-3-ium-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 159968877
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 160112052
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 160265792
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 160546885
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 162029892
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 162134179
bis(2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide);N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide
CID 157264125
2-(1-benzothiophen-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(1-methylindol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-phenoxathiin-4-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-2-ylphenyl)pyrimidine-4-carboxamide
CID 157430947

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 157192485) is 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is C.C.C.C.C.CN(C)c1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.COc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ncc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2csc3ccccc23)n1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is APWBTFBQOLRXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O.C22H25N7O.C22H20N6OS.C21H20N8O.C20H21N7O2.5CH4/c30-22(28-19-14-24-7-6-20(19)29-11-9-23-10-12-29)17-5-8-25-21(27-17)18-13-15-3-1-2-4-16(15)26-18;1-28(2)17-5-3-16(4-6-17)21-25-10-7-18(26-21)22(30)27-19-15-24-9-8-20(19)29-13-11-23-12-14-29;29-22(27-18-13-24-7-6-19(18)28-11-9-23-10-12-28)17-5-8-25-21(26-17)16-14-30-20-4-2-1-3-15(16)20;30-21(27-18-13-23-5-4-19(18)29-9-7-22-8-10-29)17-3-6-24-20(26-17)14-1-2-16-15(11-14)12-25-28-16;1-29-18-3-2-14(12-24-18)19-23-7-4-15(25-19)20(28)26-16-13-22-6-5-17(16)27-10-8-21-9-11-27;;;;;/h1-8,13-14,23,26H,9-12H2,(H,28,30);3-10,15,23H,11-14H2,1-2H3,(H,27,30);1-8,13-14,23H,9-12H2,(H,27,29);1-6,11-13,22H,7-10H2,(H,25,28)(H,27,30);2-7,12-13,21H,8-11H2,1H3,(H,26,28);5*1H4.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 2091.55 g/mol, XLogP of 15.22, 22 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 157192485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).