7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C91H95FN20O4 — CID 158194848

IUPAC7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3ccc4nc(C5CCN(C(C)C)CC5)cc(=O)n4c3)ccc2n1.Cc1cn2cc(-c3ccc4nc(C5CCN(C)CC5)cc(=O)n4c3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(C5CCN(C)CC5)cc(=O)n4c3)ccc2n1
InChIInChI=1S/C24H27N5O.C23H23N5O.C22H22FN5O.C22H23N5O/c1-16(2)27-10-8-18(9-11-27)21-12-24(30)29-15-20(5-7-23(29)26-21)19-4-6-22-25-17(3)13-28(22)14-19;1-3-27-10-8-16(9-11-27)18-5-7-22-25-20(13-23(29)28(22)15-18)17-4-6-21-19(12-17)14-24-26(21)2;1-14-11-27-12-17(9-18(23)22(27)24-14)16-3-4-20-25-19(10-21(29)28(20)13-16)15-5-7-26(2)8-6-15;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/h4-7,12-16,18H,8-11H2,1-3H3;4-8,12-15H,3,9-11H2,1-2H3;3-4,9-13,15H,5-8H2,1-2H3;3-6,11-14,16H,7-10H2,1-2H3
InChIKeyGAFIFKLWIPIUJB-UHFFFAOYSA-N
MW1551.89 g/mol
LogP13.66
Rot. Bonds10

About 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158194848) has the molecular formula C91H95FN20O4 and a molecular weight of 1551.89 g/mol. Its IUPAC name is 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID158194848
Molecular FormulaC91H95FN20O4
Molecular Weight1551.89 g/mol
Exact Mass1550.78
IUPAC Name7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3ccc4nc(C5CCN(C(C)C)CC5)cc(=O)n4c3)ccc2n1.Cc1cn2cc(-c3ccc4nc(C5CCN(C)CC5)cc(=O)n4c3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(C5CCN(C)CC5)cc(=O)n4c3)ccc2n1
InChIInChI=1S/C24H27N5O.C23H23N5O.C22H22FN5O.C22H23N5O/c1-16(2)27-10-8-18(9-11-27)21-12-24(30)29-15-20(5-7-23(29)26-21)19-4-6-22-25-17(3)13-28(22)14-19;1-3-27-10-8-16(9-11-27)18-5-7-22-25-20(13-23(29)28(22)15-18)17-4-6-21-19(12-17)14-24-26(21)2;1-14-11-27-12-17(9-18(23)22(27)24-14)16-3-4-20-25-19(10-21(29)28(20)13-16)15-5-7-26(2)8-6-15;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/h4-7,12-16,18H,8-11H2,1-3H3;4-8,12-15H,3,9-11H2,1-2H3;3-4,9-13,15H,5-8H2,1-2H3;3-6,11-14,16H,7-10H2,1-2H3
InChIKeyGAFIFKLWIPIUJB-UHFFFAOYSA-N
XLogP13.66
TPSA220.16 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.89
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 158194848) is 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CC=C(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3ccc4nc(C5CCN(C(C)C)CC5)cc(=O)n4c3)ccc2n1.Cc1cn2cc(-c3ccc4nc(C5CCN(C)CC5)cc(=O)n4c3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(C5CCN(C)CC5)cc(=O)n4c3)ccc2n1.
What is the InChIKey of 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GAFIFKLWIPIUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.C23H23N5O.C22H22FN5O.C22H23N5O/c1-16(2)27-10-8-18(9-11-27)21-12-24(30)29-15-20(5-7-23(29)26-21)19-4-6-22-25-17(3)13-28(22)14-19;1-3-27-10-8-16(9-11-27)18-5-7-22-25-20(13-23(29)28(22)15-18)17-4-6-21-19(12-17)14-24-26(21)2;1-14-11-27-12-17(9-18(23)22(27)24-14)16-3-4-20-25-19(10-21(29)28(20)13-16)15-5-7-26(2)8-6-15;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/h4-7,12-16,18H,8-11H2,1-3H3;4-8,12-15H,3,9-11H2,1-2H3;3-4,9-13,15H,5-8H2,1-2H3;3-6,11-14,16H,7-10H2,1-2H3.
What are the key properties of 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1551.89 g/mol, XLogP of 13.66, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158194848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).