5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one

C18H15F3N4O — CID 122654460

IUPAC5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)c1nc2ccc(C(F)(F)F)nc2n1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H15F3N4O/c1-9(2)16-23-13-5-6-14(18(19,20)21)24-17(13)25(16)11-3-4-12-10(7-11)8-15(26)22-12/h3-7,9H,8H2,1-2H3,(H,22,26)
InChIKeyBIDQBTORLAFLRH-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.06
Rot. Bonds2

About 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one

5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122654460) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122654460
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)c1nc2ccc(C(F)(F)F)nc2n1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H15F3N4O/c1-9(2)16-23-13-5-6-14(18(19,20)21)24-17(13)25(16)11-3-4-12-10(7-11)8-15(26)22-12/h3-7,9H,8H2,1-2H3,(H,22,26)
InChIKeyBIDQBTORLAFLRH-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one 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 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 122654460) is 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is CC(C)c1nc2ccc(C(F)(F)F)nc2n1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is BIDQBTORLAFLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-9(2)16-23-13-5-6-14(18(19,20)21)24-17(13)25(16)11-3-4-12-10(7-11)8-15(26)22-12/h3-7,9H,8H2,1-2H3,(H,22,26).
What are the key properties of 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 360.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).