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

C21H19F3N4O — CID 122654468

IUPAC5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C4CCCCC4)nc4ccc(C(F)(F)F)nc43)ccc2N1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)17-9-8-16-20(27-17)28(19(26-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-18(29)25-15/h6-10,12H,1-5,11H2,(H,25,29)
InChIKeyGCYDGNKXMGDZHQ-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.98
Rot. Bonds2

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

5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122654468) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122654468
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C4CCCCC4)nc4ccc(C(F)(F)F)nc43)ccc2N1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)17-9-8-16-20(27-17)28(19(26-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-18(29)25-15/h6-10,12H,1-5,11H2,(H,25,29)
InChIKeyGCYDGNKXMGDZHQ-UHFFFAOYSA-N
XLogP4.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 122654468) is 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-n3c(C4CCCCC4)nc4ccc(C(F)(F)F)nc43)ccc2N1.
What is the InChIKey of 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is GCYDGNKXMGDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)17-9-8-16-20(27-17)28(19(26-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-18(29)25-15/h6-10,12H,1-5,11H2,(H,25,29).
What are the key properties of 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 400.40 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclohexyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).