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

C19H15F3N4O2 — CID 122654619

IUPAC5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C4CCOC4)nc4ccc(C(F)(F)F)nc43)ccc2N1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)15-4-3-14-18(25-15)26(17(24-14)10-5-6-28-9-10)12-1-2-13-11(7-12)8-16(27)23-13/h1-4,7,10H,5-6,8-9H2,(H,23,27)
InChIKeyHZBMPOOIQAYHLP-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.44
Rot. Bonds2

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

5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122654619) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122654619
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C4CCOC4)nc4ccc(C(F)(F)F)nc43)ccc2N1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)15-4-3-14-18(25-15)26(17(24-14)10-5-6-28-9-10)12-1-2-13-11(7-12)8-16(27)23-13/h1-4,7,10H,5-6,8-9H2,(H,23,27)
InChIKeyHZBMPOOIQAYHLP-UHFFFAOYSA-N
XLogP3.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopropyl-5-methylimidazo[4,5-b]pyridin-3-yl)-1,3-dihydroindol-2-one
CID 122654406
5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
CID 122654569
5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one
CID 166654645
5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one
CID 134472554
7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
CID 122654347
5-[[4-(oxolan-3-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 68532176
1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol
CID 122654553
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one
CID 164607443
3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 122654619) is 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-n3c(C4CCOC4)nc4ccc(C(F)(F)F)nc43)ccc2N1.
What is the InChIKey of 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is HZBMPOOIQAYHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)15-4-3-14-18(25-15)26(17(24-14)10-5-6-28-9-10)12-1-2-13-11(7-12)8-16(27)23-13/h1-4,7,10H,5-6,8-9H2,(H,23,27).
What are the key properties of 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 388.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).