7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one

C19H15ClF3N3O — CID 134458123

IUPAC7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
SMILESCC(C)c1cc2ccc(C(F)(F)F)c(-c3cc(Cl)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C19H15ClF3N3O/c1-9(2)15-8-12-3-4-13(19(21,22)23)18(26(12)25-15)11-5-10-7-16(27)24-17(10)14(20)6-11/h3-6,8-9H,7H2,1-2H3,(H,24,27)
InChIKeyNSYWXBHQQAJBQZ-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.29
Rot. Bonds2

About 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one

7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one (PubChem CID 134458123) has the molecular formula C19H15ClF3N3O and a molecular weight of 393.80 g/mol. Its IUPAC name is 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
PubChem CID134458123
Molecular FormulaC19H15ClF3N3O
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC Name7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
SMILESCC(C)c1cc2ccc(C(F)(F)F)c(-c3cc(Cl)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C19H15ClF3N3O/c1-9(2)15-8-12-3-4-13(19(21,22)23)18(26(12)25-15)11-5-10-7-16(27)24-17(10)14(20)6-11/h3-6,8-9H,7H2,1-2H3,(H,24,27)
InChIKeyNSYWXBHQQAJBQZ-UHFFFAOYSA-N
XLogP5.29
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 134449807
CID 134449807
CID 134449958
CID 134449958
CID 134450168
CID 134450168
CID 134452527
CID 134452527
CID 134452623
CID 134452623
CID 134452626
CID 134452626
CID 134452628
CID 134452628
CID 134457753
CID 134457753
CID 134457755
CID 134457755
CID 134457777
CID 134457777
CID 134457782
CID 134457782
CID 134457786
CID 134457786

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one (CID 134458123) is 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one is CC(C)c1cc2ccc(C(F)(F)F)c(-c3cc(Cl)c4c(c3)CC(=O)N4)n2n1.
What is the InChIKey of 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The InChIKey is NSYWXBHQQAJBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O/c1-9(2)15-8-12-3-4-13(19(21,22)23)18(26(12)25-15)11-5-10-7-16(27)24-17(10)14(20)6-11/h3-6,8-9H,7H2,1-2H3,(H,24,27).
What are the key properties of 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one has a molecular weight of 393.80 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134458123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).