2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

C86H87F3N26O4 — CID 159589720

IUPAC2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C#N)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C)c2n1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cn2n1
InChIInChI=1S/C22H21F3N6O.C22H21N7O.C22H24N6O.C20H21N7O/c1-14-11-30-12-15(9-17(21(30)26-14)22(23,24)25)18-10-20(32)31-13-16(3-4-19(31)27-18)29-7-5-28(2)6-8-29;1-15-12-28-13-17(9-16(11-23)22(28)24-15)19-10-21(30)29-14-18(3-4-20(29)25-19)27-7-5-26(2)6-8-27;1-15-10-17(13-27-12-16(2)23-22(15)27)19-11-21(29)28-14-18(4-5-20(28)24-19)26-8-6-25(3)7-9-26;1-14-21-19-5-3-15(12-27(19)23-14)17-11-20(28)26-13-16(4-6-18(26)22-17)25-9-7-24(2)8-10-25/h3-4,9-13H,5-8H2,1-2H3;3-4,9-10,12-14H,5-8H2,1-2H3;4-5,10-14H,6-9H2,1-3H3;3-6,11-13H,7-10H2,1-2H3
InChIKeyMKBTUYHWTKIRLU-UHFFFAOYSA-N
MW1605.81 g/mol
LogP8.87
Rot. Bonds8

About 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 159589720) has the molecular formula C86H87F3N26O4 and a molecular weight of 1605.81 g/mol. Its IUPAC name is 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID159589720
Molecular FormulaC86H87F3N26O4
Molecular Weight1605.81 g/mol
Exact Mass1604.74
IUPAC Name2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C#N)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C)c2n1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cn2n1
InChIInChI=1S/C22H21F3N6O.C22H21N7O.C22H24N6O.C20H21N7O/c1-14-11-30-12-15(9-17(21(30)26-14)22(23,24)25)18-10-20(32)31-13-16(3-4-19(31)27-18)29-7-5-28(2)6-8-29;1-15-12-28-13-17(9-16(11-23)22(28)24-15)19-10-21(30)29-14-18(3-4-20(29)25-19)27-7-5-26(2)6-8-27;1-15-10-17(13-27-12-16(2)23-22(15)27)19-11-21(29)28-14-18(4-5-20(28)24-19)26-8-6-25(3)7-9-26;1-14-21-19-5-3-15(12-27(19)23-14)17-11-20(28)26-13-16(4-6-18(26)22-17)25-9-7-24(2)8-10-25/h3-4,9-13H,5-8H2,1-2H3;3-4,9-10,12-14H,5-8H2,1-2H3;4-5,10-14H,6-9H2,1-3H3;3-6,11-13H,7-10H2,1-2H3
InChIKeyMKBTUYHWTKIRLU-UHFFFAOYSA-N
XLogP8.87
TPSA269.28 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds8
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.81
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]triazol-1-yl]-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 155546884
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;3-[4-[[(3R)-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 67250241
3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 118278222
2,3-Dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278245
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
6-[(1S)-1-[8-fluoro-6-[1-[(3R)-3-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-(5-oxo-1,6-naphthyridin-6-yl)propyl]imidazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 129157590
N-[5-cyano-6-(triazol-2-yl)pyridin-3-yl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610336
5-[1-[3-[7-[3-[1-(3,3-Difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoropyridin-2-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile
CID 137389998
5-[1-[2-[[7-[6-Cyano-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]-2-methylbutyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137390422
6-[3-[2-Cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391877
1,3-bis(3,5-dimethylpiperidin-1-yl)-1,3-bis[6-[(2R)-2-(6-fluoro-2-pyridinyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propan-2-one
CID 141727665

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (CID 159589720) is 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C#N)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C)c2n1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cn2n1.
What is the InChIKey of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MKBTUYHWTKIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O.C22H21N7O.C22H24N6O.C20H21N7O/c1-14-11-30-12-15(9-17(21(30)26-14)22(23,24)25)18-10-20(32)31-13-16(3-4-19(31)27-18)29-7-5-28(2)6-8-29;1-15-12-28-13-17(9-16(11-23)22(28)24-15)19-10-21(30)29-14-18(3-4-20(29)25-19)27-7-5-26(2)6-8-27;1-15-10-17(13-27-12-16(2)23-22(15)27)19-11-21(29)28-14-18(4-5-20(28)24-19)26-8-6-25(3)7-9-26;1-14-21-19-5-3-15(12-27(19)23-14)17-11-20(28)26-13-16(4-6-18(26)22-17)25-9-7-24(2)8-10-25/h3-4,9-13H,5-8H2,1-2H3;3-4,9-10,12-14H,5-8H2,1-2H3;4-5,10-14H,6-9H2,1-3H3;3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1605.81 g/mol, XLogP of 8.87, 8 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-methyl-6-[7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159589720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).