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

C18H14ClF3N4O — CID 134450168

IUPAC7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)n1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C18H14ClF3N4O/c1-8(2)26-17(10-5-9-7-14(27)24-15(9)11(19)6-10)16-12(25-26)3-4-13(23-16)18(20,21)22/h3-6,8H,7H2,1-2H3,(H,24,27)
InChIKeyVRTYPMFJKBAJTP-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.85
Rot. Bonds2

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

7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 134450168) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is 7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID134450168
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC Name7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)n1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C18H14ClF3N4O/c1-8(2)26-17(10-5-9-7-14(27)24-15(9)11(19)6-10)16-12(25-26)3-4-13(23-16)18(20,21)22/h3-6,8H,7H2,1-2H3,(H,24,27)
InChIKeyVRTYPMFJKBAJTP-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.85
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-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 134450168) is 7-chloro-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-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one is CC(C)n1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2c(c1)CC(=O)N2.
What is the InChIKey of 7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is VRTYPMFJKBAJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-8(2)26-17(10-5-9-7-14(27)24-15(9)11(19)6-10)16-12(25-26)3-4-13(23-16)18(20,21)22/h3-6,8H,7H2,1-2H3,(H,24,27).
What are the key properties of 7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 394.78 g/mol, XLogP of 4.85, 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-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134450168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).