5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one

C17H11F5N4O — CID 122654357

IUPAC5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(F)F)nc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C17H11F5N4O/c1-7-4-9(5-8-6-12(27)25-13(7)8)26-15-10(23-16(26)14(18)19)2-3-11(24-15)17(20,21)22/h2-5,14H,6H2,1H3,(H,25,27)
InChIKeySRSUWGWXIJXDKY-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.18
Rot. Bonds2

About 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one

5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 122654357) has the molecular formula C17H11F5N4O and a molecular weight of 382.29 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID122654357
Molecular FormulaC17H11F5N4O
Molecular Weight382.29 g/mol
Exact Mass382.09
IUPAC Name5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(F)F)nc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C17H11F5N4O/c1-7-4-9(5-8-6-12(27)25-13(7)8)26-15-10(23-16(26)14(18)19)2-3-11(24-15)17(20,21)22/h2-5,14H,6H2,1H3,(H,25,27)
InChIKeySRSUWGWXIJXDKY-UHFFFAOYSA-N
XLogP4.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one (CID 122654357) is 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-n2c(C(F)F)nc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is SRSUWGWXIJXDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4O/c1-7-4-9(5-8-6-12(27)25-13(7)8)26-15-10(23-16(26)14(18)19)2-3-11(24-15)17(20,21)22/h2-5,14H,6H2,1H3,(H,25,27).
What are the key properties of 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 382.29 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).