2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

C20H19N3O3 — CID 90407841

IUPAC2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)
InChIKeyMWJQMQXBUJYTHO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.64
Rot. Bonds6

About 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407841) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407841
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)
InChIKeyMWJQMQXBUJYTHO-UHFFFAOYSA-N
XLogP3.64
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (CID 90407841) is 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OCC2CC2)cc1.
What is the InChIKey of 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is MWJQMQXBUJYTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25).
What are the key properties of 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).