N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C23H18FN3O — CID 10193872

IUPACN-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C23H18FN3O/c24-18-6-2-5-15(9-18)17-11-20-21(13-26-22(20)25-12-17)23(28)27-19-8-7-14-3-1-4-16(14)10-19/h2,5-13H,1,3-4H2,(H,25,26)(H,27,28)
InChIKeyJVGHDUHWWKYCMF-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.11
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 10193872) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID10193872
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C23H18FN3O/c24-18-6-2-5-15(9-18)17-11-20-21(13-26-22(20)25-12-17)23(28)27-19-8-7-14-3-1-4-16(14)10-19/h2,5-13H,1,3-4H2,(H,25,26)(H,27,28)
InChIKeyJVGHDUHWWKYCMF-UHFFFAOYSA-N
XLogP5.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide 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 N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 10193872) is N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1c[nH]c2ncc(-c3cccc(F)c3)cc12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is JVGHDUHWWKYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c24-18-6-2-5-15(9-18)17-11-20-21(13-26-22(20)25-12-17)23(28)27-19-8-7-14-3-1-4-16(14)10-19/h2,5-13H,1,3-4H2,(H,25,26)(H,27,28).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 10193872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).