2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide

C20H23F3N4O — CID 123988143

IUPAC2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide
SMILESO=C(CC1CCC2CC1C2)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)16-7-6-15-18(25-16)27(14-2-1-3-14)19(24-15)26-17(28)10-12-5-4-11-8-13(12)9-11/h6-7,11-14H,1-5,8-10H2,(H,24,26,28)
InChIKeyGHKDQHJGWFUBJF-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.94
Rot. Bonds4

About 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide

2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide (PubChem CID 123988143) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide
PubChem CID123988143
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide
SMILESO=C(CC1CCC2CC1C2)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)16-7-6-15-18(25-16)27(14-2-1-3-14)19(24-15)26-17(28)10-12-5-4-11-8-13(12)9-11/h6-7,11-14H,1-5,8-10H2,(H,24,26,28)
InChIKeyGHKDQHJGWFUBJF-UHFFFAOYSA-N
XLogP4.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide
CID 167288247
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 90447971
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide
CID 130361317
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanethioamide
CID 139518358
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-cyclopentylacetamide
CID 118697273
N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide
CID 130359835
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 118692440
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2-dimethylcyclopropyl)acetamide;methane
CID 159980573
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane
CID 157256627
[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 118692468

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide?
The IUPAC name of 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide (CID 123988143) is 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide?
The canonical SMILES for 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide is O=C(CC1CCC2CC1C2)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide?
The InChIKey is GHKDQHJGWFUBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c21-20(22,23)16-7-6-15-18(25-16)27(14-2-1-3-14)19(24-15)26-17(28)10-12-5-4-11-8-13(12)9-11/h6-7,11-14H,1-5,8-10H2,(H,24,26,28).
What are the key properties of 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide?
2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide has a molecular weight of 392.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 123988143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).