(7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

C17H19N3O4 — CID 137366558

IUPAC(7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCOc1ccc(Cn2cnc3c(c2=O)CN(C(=O)O)[C@H](C)C3)cc1
InChIInChI=1S/C17H19N3O4/c1-11-7-15-14(9-20(11)17(22)23)16(21)19(10-18-15)8-12-3-5-13(24-2)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyUORIHKQDVOZHSX-LLVKDONJSA-N
MW329.36 g/mol
LogP1.72
Rot. Bonds3

About (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

(7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (PubChem CID 137366558) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name(7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
PubChem CID137366558
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCOc1ccc(Cn2cnc3c(c2=O)CN(C(=O)O)[C@H](C)C3)cc1
InChIInChI=1S/C17H19N3O4/c1-11-7-15-14(9-20(11)17(22)23)16(21)19(10-18-15)8-12-3-5-13(24-2)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyUORIHKQDVOZHSX-LLVKDONJSA-N
XLogP1.72
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid with MolForge

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Related Compounds

3-[(4-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137366393
6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-[(4-methoxyphenyl)methyl]-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 137366422
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 156516413
methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
CID 154942266
(5R)-4-(3,4-dichlorobenzoyl)-13-[(4-methoxyphenyl)methyl]-5-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155342591
methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745461
6-[3-(4-methoxyphenyl)prop-2-ynyl]-3-[(4-methylsulfanylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 22509029
3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103381
5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 126650410
4-[[6-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 10003513
6-[3-(4-methoxyphenyl)prop-2-ynyl]-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 22509220
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745

Frequently Asked Questions

What is the IUPAC name of (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (CID 137366558) is (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is COc1ccc(Cn2cnc3c(c2=O)CN(C(=O)O)[C@H](C)C3)cc1.
What is the InChIKey of (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is UORIHKQDVOZHSX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-7-15-14(9-20(11)17(22)23)16(21)19(10-18-15)8-12-3-5-13(24-2)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,22,23)/t11-/m1/s1.
What are the key properties of (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
(7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 137366558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).