3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid

C18H16N4O2 — CID 82587357

IUPAC3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2nc(-c3cccnc3)c3c2CCNC3)c1
InChIInChI=1S/C18H16N4O2/c23-18(24)12-3-1-5-14(9-12)22-16-6-8-20-11-15(16)17(21-22)13-4-2-7-19-10-13/h1-5,7,9-10,20H,6,8,11H2,(H,23,24)
InChIKeyFIVXWRBPGHDHHK-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.28
Rot. Bonds3

About 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid

3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid (PubChem CID 82587357) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
PubChem CID82587357
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2nc(-c3cccnc3)c3c2CCNC3)c1
InChIInChI=1S/C18H16N4O2/c23-18(24)12-3-1-5-14(9-12)22-16-6-8-20-11-15(16)17(21-22)13-4-2-7-19-10-13/h1-5,7,9-10,20H,6,8,11H2,(H,23,24)
InChIKeyFIVXWRBPGHDHHK-UHFFFAOYSA-N
XLogP2.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid
CID 110458993
3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588694
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82586390
3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propanamide
CID 82587369
3-[3-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-1-yl]benzoic acid
CID 3972232
3-pyridin-3-ylbenzoic acid
CID 2795575
methyl 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoate
CID 110458994
1-(3-chlorophenyl)-3-pyridin-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4572183
benzene-1,3-dicarboxylic acid;1-phenyl-3-pyridin-3-ylpyrazol-5-amine
CID 174704828
3-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzoic acid
CID 105486390
N,N-dimethyl-3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-1-amine
CID 82587315
methyl 3-(3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 82586815

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The IUPAC name of 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid (CID 82587357) is 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid.
What is the SMILES notation for 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The canonical SMILES for 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid is O=C(O)c1cccc(-n2nc(-c3cccnc3)c3c2CCNC3)c1.
What is the InChIKey of 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The InChIKey is FIVXWRBPGHDHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(24)12-3-1-5-14(9-12)22-16-6-8-20-11-15(16)17(21-22)13-4-2-7-19-10-13/h1-5,7,9-10,20H,6,8,11H2,(H,23,24).
What are the key properties of 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid has a molecular weight of 320.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid is sourced from PubChem (CID 82587357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).