2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid

C19H15N5O2 — CID 90407430

IUPAC2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H15N5O2/c1-23-12-21-17(16-11-14(19(25)26)7-9-20-16)18(23)13-3-5-15(6-4-13)24-10-2-8-22-24/h2-12H,1H3,(H,25,26)
InChIKeyZQVGHRRKWOITDJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.03
Rot. Bonds4

About 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407430) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407430
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H15N5O2/c1-23-12-21-17(16-11-14(19(25)26)7-9-20-16)18(23)13-3-5-15(6-4-13)24-10-2-8-22-24/h2-12H,1H3,(H,25,26)
InChIKeyZQVGHRRKWOITDJ-UHFFFAOYSA-N
XLogP3.03
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199142
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
4-(4-(Pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-ylamino)benzoic acid
CID 10308706
2-Imidazol-1-ylmethyl-1,3-dimethyl-1H-indole-5-carboxylic acid
CID 13663102
4-[(3-Phenyltriazolo[4,5-d]pyrimidin-5-yl)amino]benzoic acid
CID 44448320
3-[1-(4-Carbamoyl-2-methylphenyl)-5-(2-imidazol-1-ylpyrimidin-5-yl)pyrrol-2-yl]propanoic acid
CID 56679232
2-[6-Methyl-1-[4-methyl-2-[(5-methyltriazol-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225932
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
4-(5-Imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978744

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407430) is 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is ZQVGHRRKWOITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-23-12-21-17(16-11-14(19(25)26)7-9-20-16)18(23)13-3-5-15(6-4-13)24-10-2-8-22-24/h2-12H,1H3,(H,25,26).
What are the key properties of 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).