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

C19H14ClF3N4O — CID 134449958

IUPAC7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c4nc(C(F)(F)F)ccc4nn3C3CCC3)cc(Cl)c2N1
InChIInChI=1S/C19H14ClF3N4O/c20-12-7-10(6-9-8-15(28)25-16(9)12)18-17-13(26-27(18)11-2-1-3-11)4-5-14(24-17)19(21,22)23/h4-7,11H,1-3,8H2,(H,25,28)
InChIKeyNFRSZIHRKMDBOL-UHFFFAOYSA-N
MW406.80 g/mol
LogP4.99
Rot. Bonds2

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

7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 134449958) has the molecular formula C19H14ClF3N4O and a molecular weight of 406.80 g/mol. Its IUPAC name is 7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID134449958
Molecular FormulaC19H14ClF3N4O
Molecular Weight406.80 g/mol
Exact Mass406.08
IUPAC Name7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c4nc(C(F)(F)F)ccc4nn3C3CCC3)cc(Cl)c2N1
InChIInChI=1S/C19H14ClF3N4O/c20-12-7-10(6-9-8-15(28)25-16(9)12)18-17-13(26-27(18)11-2-1-3-11)4-5-14(24-17)19(21,22)23/h4-7,11H,1-3,8H2,(H,25,28)
InChIKeyNFRSZIHRKMDBOL-UHFFFAOYSA-N
XLogP4.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.80
LogP ≤ 54.99
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-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 134449958) is 7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c4nc(C(F)(F)F)ccc4nn3C3CCC3)cc(Cl)c2N1.
What is the InChIKey of 7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is NFRSZIHRKMDBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O/c20-12-7-10(6-9-8-15(28)25-16(9)12)18-17-13(26-27(18)11-2-1-3-11)4-5-14(24-17)19(21,22)23/h4-7,11H,1-3,8H2,(H,25,28).
What are the key properties of 7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 406.80 g/mol, XLogP of 4.99, 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-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134449958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).