2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid

C25H18N4O3 — CID 167444517

IUPAC2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(-c3[nH]ncc3-c3ccncc3)cc2)nc2ccccc12
InChIInChI=1S/C25H18N4O3/c30-25(31)21-13-18(28-23-4-2-1-3-20(21)23)15-32-19-7-5-17(6-8-19)24-22(14-27-29-24)16-9-11-26-12-10-16/h1-14H,15H2,(H,27,29)(H,30,31)
InChIKeyIWZFUDNUGHZBTH-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.96
Rot. Bonds6

About 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid

2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid (PubChem CID 167444517) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid
PubChem CID167444517
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(-c3[nH]ncc3-c3ccncc3)cc2)nc2ccccc12
InChIInChI=1S/C25H18N4O3/c30-25(31)21-13-18(28-23-4-2-1-3-20(21)23)15-32-19-7-5-17(6-8-19)24-22(14-27-29-24)16-9-11-26-12-10-16/h1-14H,15H2,(H,27,29)(H,30,31)
InChIKeyIWZFUDNUGHZBTH-UHFFFAOYSA-N
XLogP4.96
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(Z)-1-amino-3-methylimino-2-pyridin-4-ylprop-1-enyl]phenoxy]methyl]quinoline-4-carboxylic acid
CID 167444508
2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline
CID 3480827
4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037377
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
2-methylbenzene-1,3-dicarboxylic acid;1-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]propan-2-ol
CID 174661108
N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide
CID 167444521
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
tert-butyl 2-[[4-(1-amino-3-methylimino-2-pyridin-4-ylprop-1-enyl)phenoxy]methyl]quinoline-4-carboxylate
CID 174037470
2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide
CID 110083199
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid (CID 167444517) is 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid is O=C(O)c1cc(COc2ccc(-c3[nH]ncc3-c3ccncc3)cc2)nc2ccccc12.
What is the InChIKey of 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid?
The InChIKey is IWZFUDNUGHZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c30-25(31)21-13-18(28-23-4-2-1-3-20(21)23)15-32-19-7-5-17(6-8-19)24-22(14-27-29-24)16-9-11-26-12-10-16/h1-14H,15H2,(H,27,29)(H,30,31).
What are the key properties of 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid?
2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid has a molecular weight of 422.44 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 167444517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).