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

C17H17F3N4O2 — CID 118692502

IUPACN-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide
SMILESCOC(C)CCC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1=CC=C1
InChIInChI=1S/C17H17F3N4O2/c1-10(26-2)6-9-14(25)23-16-21-12-7-8-13(17(18,19)20)22-15(12)24(16)11-4-3-5-11/h3-5,7-8,10H,6,9H2,1-2H3,(H,21,23,25)
InChIKeyQFSJMABGVFOQNI-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.61
Rot. Bonds6

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

N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide (PubChem CID 118692502) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide.

Molecular Properties

Compound NameN-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide
PubChem CID118692502
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide
SMILESCOC(C)CCC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1=CC=C1
InChIInChI=1S/C17H17F3N4O2/c1-10(26-2)6-9-14(25)23-16-21-12-7-8-13(17(18,19)20)22-15(12)24(16)11-4-3-5-11/h3-5,7-8,10H,6,9H2,1-2H3,(H,21,23,25)
InChIKeyQFSJMABGVFOQNI-UHFFFAOYSA-N
XLogP3.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide 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]-2-(1-hydroxycyclohexyl)acetamide
CID 118692554
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 118692573
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-methoxy-3-methylbutanamide
CID 118692496
4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361336
3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide
CID 130361213
N-[3-(cyclobutadienyl)-5-ethynylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 118692640
N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938438
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-(2,2,2-trifluoroethoxy)propanamide
CID 90447971
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-methoxypentan-1-one
CID 106971871

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide?
The IUPAC name of N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide (CID 118692502) is N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide.
What is the SMILES notation for N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide?
The canonical SMILES for N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide is COC(C)CCC(=O)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]-4-methoxypentanamide?
The InChIKey is QFSJMABGVFOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-10(26-2)6-9-14(25)23-16-21-12-7-8-13(17(18,19)20)22-15(12)24(16)11-4-3-5-11/h3-5,7-8,10H,6,9H2,1-2H3,(H,21,23,25).
What are the key properties of N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide?
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide has a molecular weight of 366.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 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]-4-methoxypentanamide is sourced from PubChem (CID 118692502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).