2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide

C109H104N34O7 — CID 157449692

IUPAC2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ccc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C23H21N7O.2C22H21N7O.C22H20N6O2.C20H21N7O2/c31-23(29-20-15-25-7-6-21(20)30-11-9-24-10-12-30)19-5-8-26-22(28-19)17-13-16-3-1-2-4-18(16)27-14-17;30-22(28-19-14-24-6-5-20(19)29-11-9-23-10-12-29)18-4-8-26-21(27-18)16-1-2-17-15(13-16)3-7-25-17;30-22(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;29-22(27-18-14-24-6-4-19(18)28-10-8-23-9-11-28)17-3-7-25-21(26-17)16-1-2-20-15(13-16)5-12-30-20;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/h1-8,13-15,24H,9-12H2,(H,29,31);1-8,13-14,23,25H,9-12H2,(H,28,30);1-8,13-14,23,26H,9-12H2,(H,28,30);1-7,12-14,23H,8-11H2,(H,27,29);2-7,12-13,21H,8-11H2,1H3,(H,26,28)
InChIKeyBSQPERJJAYNICV-UHFFFAOYSA-N
MW2002.26 g/mol
LogP12.66
Rot. Bonds21

About 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide

2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide (PubChem CID 157449692) has the molecular formula C109H104N34O7 and a molecular weight of 2002.26 g/mol. Its IUPAC name is 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide
PubChem CID157449692
Molecular FormulaC109H104N34O7
Molecular Weight2002.26 g/mol
Exact Mass2000.88
IUPAC Name2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ccc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C23H21N7O.2C22H21N7O.C22H20N6O2.C20H21N7O2/c31-23(29-20-15-25-7-6-21(20)30-11-9-24-10-12-30)19-5-8-26-22(28-19)17-13-16-3-1-2-4-18(16)27-14-17;30-22(28-19-14-24-6-5-20(19)29-11-9-23-10-12-29)18-4-8-26-21(27-18)16-1-2-17-15(13-16)3-7-25-17;30-22(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;29-22(27-18-14-24-6-4-19(18)28-10-8-23-9-11-28)17-3-7-25-21(26-17)16-1-2-20-15(13-16)5-12-30-20;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/h1-8,13-15,24H,9-12H2,(H,29,31);1-8,13-14,23,25H,9-12H2,(H,28,30);1-8,13-14,23,26H,9-12H2,(H,28,30);1-7,12-14,23H,8-11H2,(H,27,29);2-7,12-13,21H,8-11H2,1H3,(H,26,28)
InChIKeyBSQPERJJAYNICV-UHFFFAOYSA-N
XLogP12.66
TPSA494.93 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002002.26
LogP ≤ 512.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[4-[5-(4-ethoxy-3-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methyl-pyridine-2-carboxamide
CID 118413912
1-[4-[5-[3-[(1S)-1-[[2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 127024584
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[3-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-5-yl]phenyl]ethyl]pyrimidin-4-amine
CID 127035046
N'-[(3R)-1-[4-[[(1S)-1-(3-fluoro-1-benzofuran-7-yl)ethyl]amino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]-N-[(3R)-1-[2-methyl-4-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]butanediamide
CID 156275809
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220
1-(1-benzofuran-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-1-[3-(1H-imidazol-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide;N-(2,6-difluorophenyl)-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide;1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 157568883
2-[3-[3-[[2-(Difluoromethyl)-7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(4-formylpiperidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
CID 167062518
3-[1'-[[7-[5-[(1R,3R)-2-(2,2-difluoroethyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 170727684
3-[1'-[[1-[5-[(1R,3R)-2-(2,2-difluoro-3-hydroxypropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 170727764
2-[(7R)-5-[[8-[5-[(3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-7-methyl-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]propanal
CID 170727891
N-[3-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-ynyl]-5-[5-[7-(4-fluoropiperidin-1-yl)-1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide
CID 176295622
N-[3-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-ynyl]-5-[5-[7-(3-fluoroazetidin-1-yl)-1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide
CID 176295757

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide (CID 157449692) is 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide is COc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cn1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3[nH]ccc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cnc3ccccc3c2)n1.
What is the InChIKey of 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide?
The InChIKey is BSQPERJJAYNICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O.2C22H21N7O.C22H20N6O2.C20H21N7O2/c31-23(29-20-15-25-7-6-21(20)30-11-9-24-10-12-30)19-5-8-26-22(28-19)17-13-16-3-1-2-4-18(16)27-14-17;30-22(28-19-14-24-6-5-20(19)29-11-9-23-10-12-29)18-4-8-26-21(27-18)16-1-2-17-15(13-16)3-7-25-17;30-22(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;29-22(27-18-14-24-6-4-19(18)28-10-8-23-9-11-28)17-3-7-25-21(26-17)16-1-2-20-15(13-16)5-12-30-20;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/h1-8,13-15,24H,9-12H2,(H,29,31);1-8,13-14,23,25H,9-12H2,(H,28,30);1-8,13-14,23,26H,9-12H2,(H,28,30);1-7,12-14,23H,8-11H2,(H,27,29);2-7,12-13,21H,8-11H2,1H3,(H,26,28).
What are the key properties of 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide?
2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide has a molecular weight of 2002.26 g/mol, XLogP of 12.66, 21 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-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;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 157449692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).