2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C89H90ClFN22O4 — CID 161368720

IUPAC2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)CC5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)CC5)ccc4n3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(C5=CCN(C)CC5)cc(=O)n4c3)ccc2n1.Cc1cn2cc(-c3ccc4nc(C5=CCNCC5)cc(=O)n4c3)ccc2n1
InChIInChI=1S/C23H25ClN6O.C23H25FN6O.C22H21N5O.C21H19N5O/c2*1-15(2)27-6-8-28(9-7-27)18-4-5-21-26-20(11-22(31)30(21)14-18)17-10-19(24)23-25-16(3)12-29(23)13-17;1-15-12-26-13-17(3-5-20(26)23-15)18-4-6-21-24-19(11-22(28)27(21)14-18)16-7-9-25(2)10-8-16;1-14-11-25-12-16(2-4-19(25)23-14)17-3-5-20-24-18(10-21(27)26(20)13-17)15-6-8-22-9-7-15/h2*4-5,10-15H,6-9H2,1-3H3;3-7,11-14H,8-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3
InChIKeyVQEGDMFHRKRCOC-UHFFFAOYSA-N
MW1586.30 g/mol
LogP12.22
Rot. Bonds10

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 161368720) has the molecular formula C89H90ClFN22O4 and a molecular weight of 1586.30 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID161368720
Molecular FormulaC89H90ClFN22O4
Molecular Weight1586.30 g/mol
Exact Mass1584.72
IUPAC Name2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)CC5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)CC5)ccc4n3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(C5=CCN(C)CC5)cc(=O)n4c3)ccc2n1.Cc1cn2cc(-c3ccc4nc(C5=CCNCC5)cc(=O)n4c3)ccc2n1
InChIInChI=1S/C23H25ClN6O.C23H25FN6O.C22H21N5O.C21H19N5O/c2*1-15(2)27-6-8-28(9-7-27)18-4-5-21-26-20(11-22(31)30(21)14-18)17-10-19(24)23-25-16(3)12-29(23)13-17;1-15-12-26-13-17(3-5-20(26)23-15)18-4-6-21-24-19(11-22(28)27(21)14-18)16-7-9-25(2)10-8-16;1-14-11-25-12-16(2-4-19(25)23-14)17-3-5-20-24-18(10-21(27)26(20)13-17)15-6-8-22-9-7-15/h2*4-5,10-15H,6-9H2,1-3H3;3-7,11-14H,8-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3
InChIKeyVQEGDMFHRKRCOC-UHFFFAOYSA-N
XLogP12.22
TPSA234.91 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001586.30
LogP ≤ 512.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[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-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 161368720) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[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-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)CC5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)CC5)ccc4n3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(C5=CCN(C)CC5)cc(=O)n4c3)ccc2n1.Cc1cn2cc(-c3ccc4nc(C5=CCNCC5)cc(=O)n4c3)ccc2n1.
What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VQEGDMFHRKRCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O.C23H25FN6O.C22H21N5O.C21H19N5O/c2*1-15(2)27-6-8-28(9-7-27)18-4-5-21-26-20(11-22(31)30(21)14-18)17-10-19(24)23-25-16(3)12-29(23)13-17;1-15-12-26-13-17(3-5-20(26)23-15)18-4-6-21-24-19(11-22(28)27(21)14-18)16-7-9-25(2)10-8-16;1-14-11-25-12-16(2-4-19(25)23-14)17-3-5-20-24-18(10-21(27)26(20)13-17)15-6-8-22-9-7-15/h2*4-5,10-15H,6-9H2,1-3H3;3-7,11-14H,8-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3.
What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1586.30 g/mol, XLogP of 12.22, 10 rotatable bonds, 1 hydrogen bond donors, and 26 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-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 161368720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).