2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid

C19H16N4O3 — CID 121456158

IUPAC2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)cc1O
InChIInChI=1S/C19H16N4O3/c24-17-9-13(4-5-14(17)19(25)26)23-8-6-15-12(11-23)10-21-18(22-15)16-3-1-2-7-20-16/h1-5,7,9-10,24H,6,8,11H2,(H,25,26)
InChIKeySPCVJQWQQJXDKA-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.51
Rot. Bonds3

About 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid

2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid (PubChem CID 121456158) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
PubChem CID121456158
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)cc1O
InChIInChI=1S/C19H16N4O3/c24-17-9-13(4-5-14(17)19(25)26)23-8-6-15-12(11-23)10-21-18(22-15)16-3-1-2-7-20-16/h1-5,7,9-10,24H,6,8,11H2,(H,25,26)
InChIKeySPCVJQWQQJXDKA-UHFFFAOYSA-N
XLogP2.51
TPSA99.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid with MolForge

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Related Compounds

2-ethoxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
CID 121456026
2-butoxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
CID 121455912
6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456045
2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol
CID 142341721
6-(3-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121455953
(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 139461134
2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 157029881
(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 142341724
6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142341739
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995
2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456074
6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669668

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid (CID 121456158) is 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid is O=C(O)c1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)cc1O.
What is the InChIKey of 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid?
The InChIKey is SPCVJQWQQJXDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-17-9-13(4-5-14(17)19(25)26)23-8-6-15-12(11-23)10-21-18(22-15)16-3-1-2-7-20-16/h1-5,7,9-10,24H,6,8,11H2,(H,25,26).
What are the key properties of 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid?
2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid has a molecular weight of 348.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid is sourced from PubChem (CID 121456158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).