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

C18H21F3N4O — CID 90448068

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)14-9-8-13-16(23-14)25(12-6-3-7-12)17(22-13)24-15(26)10-11-4-1-2-5-11/h8-9,11-12H,1-7,10H2,(H,22,24,26)
InChIKeyVQUGSTDOHBSYDX-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.69
Rot. Bonds4

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

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide (PubChem CID 90448068) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide
PubChem CID90448068
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)14-9-8-13-16(23-14)25(12-6-3-7-12)17(22-13)24-15(26)10-11-4-1-2-5-11/h8-9,11-12H,1-7,10H2,(H,22,24,26)
InChIKeyVQUGSTDOHBSYDX-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide (CID 90448068) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide?
The InChIKey is VQUGSTDOHBSYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)14-9-8-13-16(23-14)25(12-6-3-7-12)17(22-13)24-15(26)10-11-4-1-2-5-11/h8-9,11-12H,1-7,10H2,(H,22,24,26).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide has a molecular weight of 366.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 90448068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).