7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one

C20H15F4N3O2 — CID 122654461

IUPAC7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C4CCOC4)cc4ccc(C(F)(F)F)nc43)cc(F)c2N1
InChIInChI=1S/C20H15F4N3O2/c21-14-8-13(5-12-7-17(28)26-18(12)14)27-15(11-3-4-29-9-11)6-10-1-2-16(20(22,23)24)25-19(10)27/h1-2,5-6,8,11H,3-4,7,9H2,(H,26,28)
InChIKeyMTPCDABZIZXWJN-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.18
Rot. Bonds2

About 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one

7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 122654461) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
PubChem CID122654461
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C4CCOC4)cc4ccc(C(F)(F)F)nc43)cc(F)c2N1
InChIInChI=1S/C20H15F4N3O2/c21-14-8-13(5-12-7-17(28)26-18(12)14)27-15(11-3-4-29-9-11)6-10-1-2-16(20(22,23)24)25-19(10)27/h1-2,5-6,8,11H,3-4,7,9H2,(H,26,28)
InChIKeyMTPCDABZIZXWJN-UHFFFAOYSA-N
XLogP4.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-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 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (CID 122654461) is 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-n3c(C4CCOC4)cc4ccc(C(F)(F)F)nc43)cc(F)c2N1.
What is the InChIKey of 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is MTPCDABZIZXWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c21-14-8-13(5-12-7-17(28)26-18(12)14)27-15(11-3-4-29-9-11)6-10-1-2-16(20(22,23)24)25-19(10)27/h1-2,5-6,8,11H,3-4,7,9H2,(H,26,28).
What are the key properties of 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 405.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[2-(oxolan-3-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).