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

C16H8ClF5N4O — CID 122654471

IUPAC7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C(F)F)nc4ccc(C(F)(F)F)nc43)cc(Cl)c2N1
InChIInChI=1S/C16H8ClF5N4O/c17-8-5-7(3-6-4-11(27)25-12(6)8)26-14-9(23-15(26)13(18)19)1-2-10(24-14)16(20,21)22/h1-3,5,13H,4H2,(H,25,27)
InChIKeyVPNKTYRJPOOMAB-UHFFFAOYSA-N
MW402.71 g/mol
LogP4.52
Rot. Bonds2

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

7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122654471) has the molecular formula C16H8ClF5N4O and a molecular weight of 402.71 g/mol. Its IUPAC name is 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122654471
Molecular FormulaC16H8ClF5N4O
Molecular Weight402.71 g/mol
Exact Mass402.03
IUPAC Name7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C(F)F)nc4ccc(C(F)(F)F)nc43)cc(Cl)c2N1
InChIInChI=1S/C16H8ClF5N4O/c17-8-5-7(3-6-4-11(27)25-12(6)8)26-14-9(23-15(26)13(18)19)1-2-10(24-14)16(20,21)22/h1-3,5,13H,4H2,(H,25,27)
InChIKeyVPNKTYRJPOOMAB-UHFFFAOYSA-N
XLogP4.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.71
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 122654471) is 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-n3c(C(F)F)nc4ccc(C(F)(F)F)nc43)cc(Cl)c2N1.
What is the InChIKey of 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is VPNKTYRJPOOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF5N4O/c17-8-5-7(3-6-4-11(27)25-12(6)8)26-14-9(23-15(26)13(18)19)1-2-10(24-14)16(20,21)22/h1-3,5,13H,4H2,(H,25,27).
What are the key properties of 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 402.71 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).