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

C19H23F3N4O2 — CID 90447807

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide
SMILESCC1(C)CC[C@@H](CC(=O)Nc2nc3ccc(C(F)(F)F)nc3n2C2CCC2)O1
InChIInChI=1S/C19H23F3N4O2/c1-18(2)9-8-12(28-18)10-15(27)25-17-23-13-6-7-14(19(20,21)22)24-16(13)26(17)11-4-3-5-11/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,23,25,27)/t12-/m0/s1
InChIKeyGQOWVTXDJSSMEY-LBPRGKRZSA-N
MW396.41 g/mol
LogP4.46
Rot. Bonds4

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

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide (PubChem CID 90447807) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide
PubChem CID90447807
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide
SMILESCC1(C)CC[C@@H](CC(=O)Nc2nc3ccc(C(F)(F)F)nc3n2C2CCC2)O1
InChIInChI=1S/C19H23F3N4O2/c1-18(2)9-8-12(28-18)10-15(27)25-17-23-13-6-7-14(19(20,21)22)24-16(13)26(17)11-4-3-5-11/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,23,25,27)/t12-/m0/s1
InChIKeyGQOWVTXDJSSMEY-LBPRGKRZSA-N
XLogP4.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide (CID 90447807) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide is CC1(C)CC[C@@H](CC(=O)Nc2nc3ccc(C(F)(F)F)nc3n2C2CCC2)O1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide?
The InChIKey is GQOWVTXDJSSMEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-18(2)9-8-12(28-18)10-15(27)25-17-23-13-6-7-14(19(20,21)22)24-16(13)26(17)11-4-3-5-11/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,23,25,27)/t12-/m0/s1.
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide has a molecular weight of 396.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-[(2S)-5,5-dimethyloxolan-2-yl]acetamide is sourced from PubChem (CID 90447807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).