7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C47H52N10O3 — CID 160909542

IUPAC7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CCC(c2ccc3nc(-c4ccc5nc(C)cn5c4)cc(=O)n3c2)CC1.Cn1ncc2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ccc4n3)ccc21
InChIInChI=1S/C24H27N5O.C23H25N5O2/c1-3-10-27-11-8-18(9-12-27)19-4-7-23-26-21(13-24(30)29(23)16-19)20-5-6-22-25-17(2)14-28(22)15-20;1-26-21-4-2-17(12-19(21)14-24-26)20-13-23(30)28-15-18(3-5-22(28)25-20)16-6-8-27(9-7-16)10-11-29/h4-7,13-16,18H,3,8-12H2,1-2H3;2-5,12-16,29H,6-11H2,1H3
InChIKeySQOZPFAJDGTVHO-UHFFFAOYSA-N
MW805.00 g/mol
LogP6.33
Rot. Bonds8

About 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 160909542) has the molecular formula C47H52N10O3 and a molecular weight of 805.00 g/mol. Its IUPAC name is 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID160909542
Molecular FormulaC47H52N10O3
Molecular Weight805.00 g/mol
Exact Mass804.42
IUPAC Name7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CCC(c2ccc3nc(-c4ccc5nc(C)cn5c4)cc(=O)n3c2)CC1.Cn1ncc2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ccc4n3)ccc21
InChIInChI=1S/C24H27N5O.C23H25N5O2/c1-3-10-27-11-8-18(9-12-27)19-4-7-23-26-21(13-24(30)29(23)16-19)20-5-6-22-25-17(2)14-28(22)15-20;1-26-21-4-2-17(12-19(21)14-24-26)20-13-23(30)28-15-18(3-5-22(28)25-20)16-6-8-27(9-7-16)10-11-29/h4-7,13-16,18H,3,8-12H2,1-2H3;2-5,12-16,29H,6-11H2,1H3
InChIKeySQOZPFAJDGTVHO-UHFFFAOYSA-N
XLogP6.33
TPSA130.57 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.00
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-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-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 160909542) is 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCCN1CCC(c2ccc3nc(-c4ccc5nc(C)cn5c4)cc(=O)n3c2)CC1.Cn1ncc2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ccc4n3)ccc21.
What is the InChIKey of 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SQOZPFAJDGTVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.C23H25N5O2/c1-3-10-27-11-8-18(9-12-27)19-4-7-23-26-21(13-24(30)29(23)16-19)20-5-6-22-25-17(2)14-28(22)15-20;1-26-21-4-2-17(12-19(21)14-24-26)20-13-23(30)28-15-18(3-5-22(28)25-20)16-6-8-27(9-7-16)10-11-29/h4-7,13-16,18H,3,8-12H2,1-2H3;2-5,12-16,29H,6-11H2,1H3.
What are the key properties of 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 805.00 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160909542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).