4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid

C15H15N3O5 — CID 68931570

IUPAC4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESCOC(=O)C1c2c(cnn2-c2ccccc2)C(O)CN1C(=O)O
InChIInChI=1S/C15H15N3O5/c1-23-14(20)13-12-10(11(19)8-17(13)15(21)22)7-16-18(12)9-5-3-2-4-6-9/h2-7,11,13,19H,8H2,1H3,(H,21,22)
InChIKeyKXSJMJHSIWYCKI-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.11
Rot. Bonds2

About 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid

4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 68931570) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID68931570
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESCOC(=O)C1c2c(cnn2-c2ccccc2)C(O)CN1C(=O)O
InChIInChI=1S/C15H15N3O5/c1-23-14(20)13-12-10(11(19)8-17(13)15(21)22)7-16-18(12)9-5-3-2-4-6-9/h2-7,11,13,19H,8H2,1H3,(H,21,22)
InChIKeyKXSJMJHSIWYCKI-UHFFFAOYSA-N
XLogP1.11
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid
CID 69149490
4-hydroxy-1-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 69345742
(1S)-9-oxo-5-phenyl-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
CID 68929511
methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate
CID 168694036
1-methoxycarbonyl-4-(prop-2-enoxyamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 87793713
methyl 5-butyl-1-phenylpyrazole-4-carboxylate
CID 129024487
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
(4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 852817
methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
CID 141103843
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
methyl (4S)-5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 97105128
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (CID 68931570) is 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is COC(=O)C1c2c(cnn2-c2ccccc2)C(O)CN1C(=O)O.
What is the InChIKey of 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is KXSJMJHSIWYCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-23-14(20)13-12-10(11(19)8-17(13)15(21)22)7-16-18(12)9-5-3-2-4-6-9/h2-7,11,13,19H,8H2,1H3,(H,21,22).
What are the key properties of 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 68931570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).