2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C109H114ClN29O6 — CID 158363862

IUPAC2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)CC1.CN(C)C1CCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.Cn1ncc2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc21
InChIInChI=1S/C23H26N6O.C22H23ClN6O.C22H24N6O.C22H21N5O2.C20H20N6O/c1-26(2)18-8-10-28(11-9-18)19-5-7-22-25-20(13-23(30)29(22)15-19)16-4-6-21-17(12-16)14-24-27(21)3;1-3-26-6-8-27(9-7-26)17-4-5-20-25-19(11-21(30)29(20)14-17)16-10-18(23)22-24-15(2)12-28(22)13-16;1-25-8-3-9-27(11-10-25)18-5-7-21-24-19(13-22(29)28(21)15-18)16-4-6-20-17(12-16)14-23-26(20)2;1-3-26-10-8-15(9-11-26)17-6-7-21-24-19(13-22(28)27(21)25-17)16-4-5-18-20(12-16)29-14(2)23-18;1-24-18-4-2-14(10-15(18)12-22-24)17-11-20(27)26-13-16(3-5-19(26)23-17)25-8-6-21-7-9-25/h4-7,12-15,18H,8-11H2,1-3H3;4-5,10-14H,3,6-9H2,1-2H3;4-7,12-15H,3,8-11H2,1-2H3;4-8,12-13H,3,9-11H2,1-2H3;2-5,10-13,21H,6-9H2,1H3
InChIKeyGTUCPQXPRUXJOL-UHFFFAOYSA-N
MW1961.76 g/mol
LogP13.25
Rot. Bonds13

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 158363862) has the molecular formula C109H114ClN29O6 and a molecular weight of 1961.76 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID158363862
Molecular FormulaC109H114ClN29O6
Molecular Weight1961.76 g/mol
Exact Mass1959.92
IUPAC Name2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)CC1.CN(C)C1CCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.Cn1ncc2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc21
InChIInChI=1S/C23H26N6O.C22H23ClN6O.C22H24N6O.C22H21N5O2.C20H20N6O/c1-26(2)18-8-10-28(11-9-18)19-5-7-22-25-20(13-23(30)29(22)15-19)16-4-6-21-17(12-16)14-24-27(21)3;1-3-26-6-8-27(9-7-26)17-4-5-20-25-19(11-21(30)29(20)14-17)16-10-18(23)22-24-15(2)12-28(22)13-16;1-25-8-3-9-27(11-10-25)18-5-7-21-24-19(13-22(29)28(21)15-18)16-4-6-20-17(12-16)14-23-26(20)2;1-3-26-10-8-15(9-11-26)17-6-7-21-24-19(13-22(28)27(21)25-17)16-4-5-18-20(12-16)29-14(2)23-18;1-24-18-4-2-14(10-15(18)12-22-24)17-11-20(27)26-13-16(3-5-19(26)23-17)25-8-6-21-7-9-25/h4-7,12-15,18H,8-11H2,1-3H3;4-5,10-14H,3,6-9H2,1-2H3;4-7,12-15H,3,8-11H2,1-2H3;4-8,12-13H,3,9-11H2,1-2H3;2-5,10-13,21H,6-9H2,1H3
InChIKeyGTUCPQXPRUXJOL-UHFFFAOYSA-N
XLogP13.25
TPSA319.48 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds13
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001961.76
LogP ≤ 513.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 158363862) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is CCN1CC=C(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)CC1.CN(C)C1CCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.Cn1ncc2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc21.
What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GTUCPQXPRUXJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.C22H23ClN6O.C22H24N6O.C22H21N5O2.C20H20N6O/c1-26(2)18-8-10-28(11-9-18)19-5-7-22-25-20(13-23(30)29(22)15-19)16-4-6-21-17(12-16)14-24-27(21)3;1-3-26-6-8-27(9-7-26)17-4-5-20-25-19(11-21(30)29(20)14-17)16-10-18(23)22-24-15(2)12-28(22)13-16;1-25-8-3-9-27(11-10-25)18-5-7-21-24-19(13-22(29)28(21)15-18)16-4-6-20-17(12-16)14-23-26(20)2;1-3-26-10-8-15(9-11-26)17-6-7-21-24-19(13-22(28)27(21)25-17)16-4-5-18-20(12-16)29-14(2)23-18;1-24-18-4-2-14(10-15(18)12-22-24)17-11-20(27)26-13-16(3-5-19(26)23-17)25-8-6-21-7-9-25/h4-7,12-15,18H,8-11H2,1-3H3;4-5,10-14H,3,6-9H2,1-2H3;4-7,12-15H,3,8-11H2,1-2H3;4-8,12-13H,3,9-11H2,1-2H3;2-5,10-13,21H,6-9H2,1H3.
What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1961.76 g/mol, XLogP of 13.25, 13 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158363862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).