3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid

C18H22FN3O2 — CID 163563835

IUPAC3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)nc(CC1CCC(CF)CC1)n2C1CC1
InChIInChI=1S/C18H22FN3O2/c19-9-12-3-1-11(2-4-12)7-16-21-15-8-13(18(23)24)10-20-17(15)22(16)14-5-6-14/h8,10-12,14H,1-7,9H2,(H,23,24)
InChIKeyFTMPMRNKVXZUOD-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.78
Rot. Bonds5

About 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid

3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 163563835) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID163563835
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)nc(CC1CCC(CF)CC1)n2C1CC1
InChIInChI=1S/C18H22FN3O2/c19-9-12-3-1-11(2-4-12)7-16-21-15-8-13(18(23)24)10-20-17(15)22(16)14-5-6-14/h8,10-12,14H,1-7,9H2,(H,23,24)
InChIKeyFTMPMRNKVXZUOD-UHFFFAOYSA-N
XLogP3.78
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-cyclopentyl-2-propylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488832
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82479909
2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine
CID 79279480
2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 25465116
6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79278792
2-cyclopentyl-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488833
6-bromo-2-(chloromethyl)-3-(4-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301958
2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid
CID 61465273

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid (CID 163563835) is 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2c(c1)nc(CC1CCC(CF)CC1)n2C1CC1.
What is the InChIKey of 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is FTMPMRNKVXZUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-9-12-3-1-11(2-4-12)7-16-21-15-8-13(18(23)24)10-20-17(15)22(16)14-5-6-14/h8,10-12,14H,1-7,9H2,(H,23,24).
What are the key properties of 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 331.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 163563835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).