2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one

C25H26FN3O — CID 166461704

IUPAC2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
SMILESCC(C)c1ccc(-c2cc(-c3cc4c([nH]3)C3(CCCC3)CNC4=O)ccn2)c(F)c1
InChIInChI=1S/C25H26FN3O/c1-15(2)16-5-6-18(20(26)11-16)22-12-17(7-10-27-22)21-13-19-23(29-21)25(8-3-4-9-25)14-28-24(19)30/h5-7,10-13,15,29H,3-4,8-9,14H2,1-2H3,(H,28,30)
InChIKeyMUKKQRPWWZVGAH-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.56
Rot. Bonds3

About 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one

2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one (PubChem CID 166461704) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
PubChem CID166461704
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
SMILESCC(C)c1ccc(-c2cc(-c3cc4c([nH]3)C3(CCCC3)CNC4=O)ccn2)c(F)c1
InChIInChI=1S/C25H26FN3O/c1-15(2)16-5-6-18(20(26)11-16)22-12-17(7-10-27-22)21-13-19-23(29-21)25(8-3-4-9-25)14-28-24(19)30/h5-7,10-13,15,29H,3-4,8-9,14H2,1-2H3,(H,28,30)
InChIKeyMUKKQRPWWZVGAH-UHFFFAOYSA-N
XLogP5.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-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 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one?
The IUPAC name of 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one (CID 166461704) is 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one.
What is the SMILES notation for 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one?
The canonical SMILES for 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one is CC(C)c1ccc(-c2cc(-c3cc4c([nH]3)C3(CCCC3)CNC4=O)ccn2)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one?
The InChIKey is MUKKQRPWWZVGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-15(2)16-5-6-18(20(26)11-16)22-12-17(7-10-27-22)21-13-19-23(29-21)25(8-3-4-9-25)14-28-24(19)30/h5-7,10-13,15,29H,3-4,8-9,14H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one?
2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one has a molecular weight of 403.50 g/mol, XLogP of 5.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one is sourced from PubChem (CID 166461704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).