3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide

C23H26N6O4 — CID 66959604

IUPAC3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC(=O)C3(O)CCNC3)c2c1=O
InChIInChI=1S/C23H26N6O4/c1-28-14-25-18-12-17(15-2-4-16(5-3-15)29-8-10-33-11-9-29)26-20(19(18)21(28)30)27-22(31)23(32)6-7-24-13-23/h2-5,12,14,24,32H,6-11,13H2,1H3,(H,26,27,31)
InChIKeyVIXGILWJEFXTPK-UHFFFAOYSA-N
MW450.50 g/mol
LogP0.50
Rot. Bonds4

About 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide

3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide (PubChem CID 66959604) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide
PubChem CID66959604
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC(=O)C3(O)CCNC3)c2c1=O
InChIInChI=1S/C23H26N6O4/c1-28-14-25-18-12-17(15-2-4-16(5-3-15)29-8-10-33-11-9-29)26-20(19(18)21(28)30)27-22(31)23(32)6-7-24-13-23/h2-5,12,14,24,32H,6-11,13H2,1H3,(H,26,27,31)
InChIKeyVIXGILWJEFXTPK-UHFFFAOYSA-N
XLogP0.50
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-5-(methylamino)-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 123985024
5-[[(2R)-2,3-dihydroxypropyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959825
5-(1,3-dioxolan-2-ylmethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959637
5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959821
5-(2-hydroxypropan-2-ylamino)-3-methyl-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 123716763
5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959331
7-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959684
5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959385
5-[[(2S)-1-hydroxypropan-2-yl]amino]-3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959711
7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959241
5-(2-hydroxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50924117
5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959740

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide (CID 66959604) is 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC(=O)C3(O)CCNC3)c2c1=O.
What is the InChIKey of 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is VIXGILWJEFXTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-28-14-25-18-12-17(15-2-4-16(5-3-15)29-8-10-33-11-9-29)26-20(19(18)21(28)30)27-22(31)23(32)6-7-24-13-23/h2-5,12,14,24,32H,6-11,13H2,1H3,(H,26,27,31).
What are the key properties of 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide?
3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 66959604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).