2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid

C19H14N4O3 — CID 154276679

IUPAC2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
SMILESNc1n[nH]c2cc(-c3ccccc3C(=O)O)nc(-c3ccc(O)cc3)c12
InChIInChI=1S/C19H14N4O3/c20-18-16-15(22-23-18)9-14(12-3-1-2-4-13(12)19(25)26)21-17(16)10-5-7-11(24)8-6-10/h1-9,24H,(H,25,26)(H3,20,22,23)
InChIKeyCSGIUPUJGIDSPZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.28
Rot. Bonds3

About 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid

2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid (PubChem CID 154276679) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid.

Molecular Properties

Compound Name2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
PubChem CID154276679
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
SMILESNc1n[nH]c2cc(-c3ccccc3C(=O)O)nc(-c3ccc(O)cc3)c12
InChIInChI=1S/C19H14N4O3/c20-18-16-15(22-23-18)9-14(12-3-1-2-4-13(12)19(25)26)21-17(16)10-5-7-11(24)8-6-10/h1-9,24H,(H,25,26)(H3,20,22,23)
InChIKeyCSGIUPUJGIDSPZ-UHFFFAOYSA-N
XLogP3.28
TPSA125.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
CID 67574988
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile
CID 154396472
4-[3-amino-6-(4-hydroxyphenyl)-1H-indazol-5-yl]phenol
CID 135848029
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
CID 50996170
6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 67574938
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea
CID 174507017
6-(3-amino-1H-indazol-4-yl)-N-ethylnaphthalene-1-carboxamide
CID 90644671
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
acetylene;2-phenylbenzoic acid
CID 67726329
3-(4-hydroxyphenyl)phthalic acid
CID 45486596

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid?
The IUPAC name of 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid (CID 154276679) is 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid.
What is the SMILES notation for 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid?
The canonical SMILES for 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid is Nc1n[nH]c2cc(-c3ccccc3C(=O)O)nc(-c3ccc(O)cc3)c12.
What is the InChIKey of 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid?
The InChIKey is CSGIUPUJGIDSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c20-18-16-15(22-23-18)9-14(12-3-1-2-4-13(12)19(25)26)21-17(16)10-5-7-11(24)8-6-10/h1-9,24H,(H,25,26)(H3,20,22,23).
What are the key properties of 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid?
2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid has a molecular weight of 346.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid is sourced from PubChem (CID 154276679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).