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

C18H15ClF2N4O — CID 134449807

IUPAC7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)n1nc2ccc(C(F)F)nc2c1-c1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C18H15ClF2N4O/c1-8(2)25-17(16-12(24-25)3-4-13(22-16)18(20)21)10-5-9-7-14(26)23-15(9)11(19)6-10/h3-6,8,18H,7H2,1-2H3,(H,23,26)
InChIKeySBWCEHGQGHPXSA-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.76
Rot. Bonds3

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

7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 134449807) has the molecular formula C18H15ClF2N4O and a molecular weight of 376.79 g/mol. Its IUPAC name is 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID134449807
Molecular FormulaC18H15ClF2N4O
Molecular Weight376.79 g/mol
Exact Mass376.09
IUPAC Name7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)n1nc2ccc(C(F)F)nc2c1-c1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C18H15ClF2N4O/c1-8(2)25-17(16-12(24-25)3-4-13(22-16)18(20)21)10-5-9-7-14(26)23-15(9)11(19)6-10/h3-6,8,18H,7H2,1-2H3,(H,23,26)
InChIKeySBWCEHGQGHPXSA-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 134449807) is 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one is CC(C)n1nc2ccc(C(F)F)nc2c1-c1cc(Cl)c2c(c1)CC(=O)N2.
What is the InChIKey of 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is SBWCEHGQGHPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O/c1-8(2)25-17(16-12(24-25)3-4-13(22-16)18(20)21)10-5-9-7-14(26)23-15(9)11(19)6-10/h3-6,8,18H,7H2,1-2H3,(H,23,26).
What are the key properties of 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 376.79 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[5-(difluoromethyl)-2-propan-2-ylpyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134449807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).