2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid

C20H16F3N3O2 — CID 90407340

IUPAC2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-26-11-25-16(15-10-13(18(27)28)6-9-24-15)17(26)12-2-4-14(5-3-12)19(7-8-19)20(21,22)23/h2-6,9-11H,7-8H2,1H3,(H,27,28)
InChIKeySDMVZUWEFWRXCR-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.44
Rot. Bonds4

About 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407340) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407340
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-26-11-25-16(15-10-13(18(27)28)6-9-24-15)17(26)12-2-4-14(5-3-12)19(7-8-19)20(21,22)23/h2-6,9-11H,7-8H2,1H3,(H,27,28)
InChIKeySDMVZUWEFWRXCR-UHFFFAOYSA-N
XLogP4.44
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407340) is 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C2(C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is SDMVZUWEFWRXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-26-11-25-16(15-10-13(18(27)28)6-9-24-15)17(26)12-2-4-14(5-3-12)19(7-8-19)20(21,22)23/h2-6,9-11H,7-8H2,1H3,(H,27,28).
What are the key properties of 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 387.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).