5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C18H14BrF3N4O — CID 122654330

IUPAC5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)c1c(Br)c2ccc(C(F)(F)F)nc2n1-c1cnc2c(c1)CC(=O)N2
InChIInChI=1S/C18H14BrF3N4O/c1-8(2)15-14(19)11-3-4-12(18(20,21)22)24-17(11)26(15)10-5-9-6-13(27)25-16(9)23-7-10/h3-5,7-8H,6H2,1-2H3,(H,23,25,27)
InChIKeyKSGZUSWFDXQOCQ-UHFFFAOYSA-N
MW439.24 g/mol
LogP4.82
Rot. Bonds2

About 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 122654330) has the molecular formula C18H14BrF3N4O and a molecular weight of 439.24 g/mol. Its IUPAC name is 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID122654330
Molecular FormulaC18H14BrF3N4O
Molecular Weight439.24 g/mol
Exact Mass438.03
IUPAC Name5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)c1c(Br)c2ccc(C(F)(F)F)nc2n1-c1cnc2c(c1)CC(=O)N2
InChIInChI=1S/C18H14BrF3N4O/c1-8(2)15-14(19)11-3-4-12(18(20,21)22)24-17(11)26(15)10-5-9-6-13(27)25-16(9)23-7-10/h3-5,7-8H,6H2,1-2H3,(H,23,25,27)
InChIKeyKSGZUSWFDXQOCQ-UHFFFAOYSA-N
XLogP4.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 122654330) is 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is CC(C)c1c(Br)c2ccc(C(F)(F)F)nc2n1-c1cnc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is KSGZUSWFDXQOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N4O/c1-8(2)15-14(19)11-3-4-12(18(20,21)22)24-17(11)26(15)10-5-9-6-13(27)25-16(9)23-7-10/h3-5,7-8H,6H2,1-2H3,(H,23,25,27).
What are the key properties of 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 439.24 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 122654330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).