N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide

C19H19F3N4O2 — CID 118692554

IUPACN-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1=CC=C1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)14-8-7-13-16(24-14)26(12-5-4-6-12)17(23-13)25-15(27)11-18(28)9-2-1-3-10-18/h4-8,28H,1-3,9-11H2,(H,23,25,27)
InChIKeyHBXRZGJDJNLEJU-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.88
Rot. Bonds4

About N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide

N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 118692554) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID118692554
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1=CC=C1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)14-8-7-13-16(24-14)26(12-5-4-6-12)17(23-13)25-15(27)11-18(28)9-2-1-3-10-18/h4-8,28H,1-3,9-11H2,(H,23,25,27)
InChIKeyHBXRZGJDJNLEJU-UHFFFAOYSA-N
XLogP3.88
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4-dimethylpentanamide
CID 118692455
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide
CID 118692502
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 118692573
N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide
CID 118692448
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide
CID 130361161
4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361336
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide
CID 167288247
(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130361425
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide
CID 130361317
2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide
CID 123988143
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide
CID 118692499

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide (CID 118692554) is N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide is O=C(CC1(O)CCCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1=CC=C1.
What is the InChIKey of N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is HBXRZGJDJNLEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)14-8-7-13-16(24-14)26(12-5-4-6-12)17(23-13)25-15(27)11-18(28)9-2-1-3-10-18/h4-8,28H,1-3,9-11H2,(H,23,25,27).
What are the key properties of N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide?
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 392.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 118692554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).