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

C19H17F3N4O — CID 134450143

IUPAC7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C(C)C)cc2c1NC(=O)C2
InChIInChI=1S/C19H17F3N4O/c1-9(2)26-18(12-6-10(3)16-11(7-12)8-15(27)24-16)17-13(25-26)4-5-14(23-17)19(20,21)22/h4-7,9H,8H2,1-3H3,(H,24,27)
InChIKeyMRMQJBAGEHRZAD-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.50
Rot. Bonds2

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

7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 134450143) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID134450143
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C(C)C)cc2c1NC(=O)C2
InChIInChI=1S/C19H17F3N4O/c1-9(2)26-18(12-6-10(3)16-11(7-12)8-15(27)24-16)17-13(25-26)4-5-14(23-17)19(20,21)22/h4-7,9H,8H2,1-3H3,(H,24,27)
InChIKeyMRMQJBAGEHRZAD-UHFFFAOYSA-N
XLogP4.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 134450143) is 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one is Cc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C(C)C)cc2c1NC(=O)C2.
What is the InChIKey of 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is MRMQJBAGEHRZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-9(2)26-18(12-6-10(3)16-11(7-12)8-15(27)24-16)17-13(25-26)4-5-14(23-17)19(20,21)22/h4-7,9H,8H2,1-3H3,(H,24,27).
What are the key properties of 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 374.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134450143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).