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

C20H17F2N3O3 — CID 90407657

IUPAC2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1cc(F)c(F)cc1OCC1CC1
InChIInChI=1S/C20H17F2N3O3/c1-25-10-24-18(16-6-12(20(26)27)4-5-23-16)19(25)13-7-14(21)15(22)8-17(13)28-9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,26,27)
InChIKeyPZUPDEOZRJAYNQ-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.91
Rot. Bonds6

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

2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407657) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407657
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1cc(F)c(F)cc1OCC1CC1
InChIInChI=1S/C20H17F2N3O3/c1-25-10-24-18(16-6-12(20(26)27)4-5-23-16)19(25)13-7-14(21)15(22)8-17(13)28-9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,26,27)
InChIKeyPZUPDEOZRJAYNQ-UHFFFAOYSA-N
XLogP3.91
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid
CID 134611223
(R)-3-methyl-6-(2-((5-methyl-2-(4-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)methyl)phenoxy)hexanoic acid
CID 126752361
(3R)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 132009300
Bocidelpar
CID 126752383
1-Cyclohexyl-2-[2-fluoro-4-(phenyl-pyridin-3-yl-methoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid
CID 15949381
2-[5-(4-Methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407809
2-[5-[4-(Cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407841
(3R)-6-[2-[[2-(4-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752322
(3R)-6-[2-[[2-[4-(difluoromethoxy)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752347
(3R)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752353
(3R)-3-methyl-6-[2-[[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 132017744
2-[3-[[2-(Trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 162666593

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (CID 90407657) is 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1cc(F)c(F)cc1OCC1CC1.
What is the InChIKey of 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is PZUPDEOZRJAYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-25-10-24-18(16-6-12(20(26)27)4-5-23-16)19(25)13-7-14(21)15(22)8-17(13)28-9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,26,27).
What are the key properties of 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 385.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).