2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C106H105N35O5S2 — CID 158421166

IUPAC2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCN(C)c1ncc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.Cc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ncc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2csc3ccccc23)n1
InChIInChI=1S/2C22H20N6OS.C21H20N8O.C21H22N6O.C20H23N9O/c29-22(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;29-22(27-17-14-24-7-6-18(17)28-11-9-23-10-12-28)16-5-8-25-21(26-16)20-13-15-3-1-2-4-19(15)30-20;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;1-15-2-4-16(5-3-15)20-24-9-6-17(25-20)21(28)26-18-14-23-8-7-19(18)27-12-10-22-11-13-27;1-28(2)20-24-11-14(12-25-20)18-23-6-3-15(26-18)19(30)27-16-13-22-5-4-17(16)29-9-7-21-8-10-29/h2*1-8,13-14,23H,9-12H2,(H,27,29);1-6,11-13,22H,7-10H2,(H,25,28)(H,27,30);2-9,14,22H,10-13H2,1H3,(H,26,28);3-6,11-13,21H,7-10H2,1-2H3,(H,27,30)
InChIKeyHAMVBIZLULFAGG-UHFFFAOYSA-N
MW2013.38 g/mol
LogP12.47
Rot. Bonds21

About 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 158421166) has the molecular formula C106H105N35O5S2 and a molecular weight of 2013.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID158421166
Molecular FormulaC106H105N35O5S2
Molecular Weight2013.38 g/mol
Exact Mass2011.85
IUPAC Name2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCN(C)c1ncc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.Cc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ncc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2csc3ccccc23)n1
InChIInChI=1S/2C22H20N6OS.C21H20N8O.C21H22N6O.C20H23N9O/c29-22(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;29-22(27-17-14-24-7-6-18(17)28-11-9-23-10-12-28)16-5-8-25-21(26-16)20-13-15-3-1-2-4-19(15)30-20;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;1-15-2-4-16(5-3-15)20-24-9-6-17(25-20)21(28)26-18-14-23-8-7-19(18)27-12-10-22-11-13-27;1-28(2)20-24-11-14(12-25-20)18-23-6-3-15(26-18)19(30)27-16-13-22-5-4-17(16)29-9-7-21-8-10-29/h2*1-8,13-14,23H,9-12H2,(H,27,29);1-6,11-13,22H,7-10H2,(H,25,28)(H,27,30);2-9,14,22H,10-13H2,1H3,(H,26,28);3-6,11-13,21H,7-10H2,1-2H3,(H,27,30)
InChIKeyHAMVBIZLULFAGG-UHFFFAOYSA-N
XLogP12.47
TPSA472.90 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002013.38
LogP ≤ 512.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136935752
N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136935801
N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136935859
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136935883
N-[5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136936153
N-[5-[6-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136936214
N-[5-[6-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136936274
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136936299
N-[5-[4-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136936581
N-[5-[4-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136936635
N-[5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136936686
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136936711

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 158421166) is 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is CN(C)c1ncc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.Cc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ncc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2csc3ccccc23)n1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is HAMVBIZLULFAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20N6OS.C21H20N8O.C21H22N6O.C20H23N9O/c29-22(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;29-22(27-17-14-24-7-6-18(17)28-11-9-23-10-12-28)16-5-8-25-21(26-16)20-13-15-3-1-2-4-19(15)30-20;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;1-15-2-4-16(5-3-15)20-24-9-6-17(25-20)21(28)26-18-14-23-8-7-19(18)27-12-10-22-11-13-27;1-28(2)20-24-11-14(12-25-20)18-23-6-3-15(26-18)19(30)27-16-13-22-5-4-17(16)29-9-7-21-8-10-29/h2*1-8,13-14,23H,9-12H2,(H,27,29);1-6,11-13,22H,7-10H2,(H,25,28)(H,27,30);2-9,14,22H,10-13H2,1H3,(H,26,28);3-6,11-13,21H,7-10H2,1-2H3,(H,27,30).
What are the key properties of 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 2013.38 g/mol, XLogP of 12.47, 21 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-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-[2-(dimethylamino)pyrimidin-5-yl]-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-(4-methylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158421166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).