7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid

C18H13N3O3 — CID 142503654

IUPAC7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(-n3cccn3)cc2)c2occc2n1
InChIInChI=1S/C18H13N3O3/c22-18(23)16-11-13(17-15(20-16)6-9-24-17)10-12-2-4-14(5-3-12)21-8-1-7-19-21/h1-9,11H,10H2,(H,22,23)
InChIKeyVPOSKIGMSICPGF-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.30
Rot. Bonds4

About 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid

7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid (PubChem CID 142503654) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid
PubChem CID142503654
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(-n3cccn3)cc2)c2occc2n1
InChIInChI=1S/C18H13N3O3/c22-18(23)16-11-13(17-15(20-16)6-9-24-17)10-12-2-4-14(5-3-12)21-8-1-7-19-21/h1-9,11H,10H2,(H,22,23)
InChIKeyVPOSKIGMSICPGF-UHFFFAOYSA-N
XLogP3.30
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-pyrazol-1-ylphenyl)methyl]quinoline
CID 174923169
2-fluoro-3,4-dimethyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzoic acid
CID 137404588
1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 139380585
N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 71970431
1-[5-(difluoromethoxy)-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 129045080
N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
methyl 2-hydroxy-3,4-dimethyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzoate
CID 118468338
6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol
CID 125491841
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
1-(3-benzyl-4-methylphenyl)pyrazole
CID 58508496
6-hydrazinyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2,5-diamine
CID 145270329
3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 43045643

Frequently Asked Questions

What is the IUPAC name of 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid (CID 142503654) is 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid is O=C(O)c1cc(Cc2ccc(-n3cccn3)cc2)c2occc2n1.
What is the InChIKey of 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid?
The InChIKey is VPOSKIGMSICPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-18(23)16-11-13(17-15(20-16)6-9-24-17)10-12-2-4-14(5-3-12)21-8-1-7-19-21/h1-9,11H,10H2,(H,22,23).
What are the key properties of 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid?
7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 142503654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).