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

C20H17F3N4O — CID 134450043

IUPAC5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCC2)cc2c1NC(=O)C2
InChIInChI=1S/C20H17F3N4O/c1-10-7-12(8-11-9-16(28)25-17(10)11)19-18-14(26-27(19)13-3-2-4-13)5-6-15(24-18)20(21,22)23/h5-8,13H,2-4,9H2,1H3,(H,25,28)
InChIKeyMHHPGGXZAMHNQW-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.65
Rot. Bonds2

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

5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134450043) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134450043
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCC2)cc2c1NC(=O)C2
InChIInChI=1S/C20H17F3N4O/c1-10-7-12(8-11-9-16(28)25-17(10)11)19-18-14(26-27(19)13-3-2-4-13)5-6-15(24-18)20(21,22)23/h5-8,13H,2-4,9H2,1H3,(H,25,28)
InChIKeyMHHPGGXZAMHNQW-UHFFFAOYSA-N
XLogP4.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134450043) is 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCC2)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is MHHPGGXZAMHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-10-7-12(8-11-9-16(28)25-17(10)11)19-18-14(26-27(19)13-3-2-4-13)5-6-15(24-18)20(21,22)23/h5-8,13H,2-4,9H2,1H3,(H,25,28).
What are the key properties of 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 386.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134450043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).