1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone

C31H21N3O — CID 158663916

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C31H21N3O/c35-29(23-12-14-32-31-26(23)13-15-33-31)17-27-22-7-2-3-8-24(22)30-21(9-5-10-25(27)30)20-16-19-6-1-4-11-28(19)34-18-20/h1-16,18,27H,17H2,(H,32,33)
InChIKeyIDCJIQJBOVCYAH-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.16
Rot. Bonds4

About 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone

1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone (PubChem CID 158663916) has the molecular formula C31H21N3O and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone
PubChem CID158663916
Molecular FormulaC31H21N3O
Molecular Weight451.53 g/mol
Exact Mass451.17
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C31H21N3O/c35-29(23-12-14-32-31-26(23)13-15-33-31)17-27-22-7-2-3-8-24(22)30-21(9-5-10-25(27)30)20-16-19-6-1-4-11-28(19)34-18-20/h1-16,18,27H,17H2,(H,32,33)
InChIKeyIDCJIQJBOVCYAH-UHFFFAOYSA-N
XLogP7.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone 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 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone (CID 158663916) is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone is O=C(CC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21)c1ccnc2[nH]ccc12.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone?
The InChIKey is IDCJIQJBOVCYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O/c35-29(23-12-14-32-31-26(23)13-15-33-31)17-27-22-7-2-3-8-24(22)30-21(9-5-10-25(27)30)20-16-19-6-1-4-11-28(19)34-18-20/h1-16,18,27H,17H2,(H,32,33).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone?
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone has a molecular weight of 451.53 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone is sourced from PubChem (CID 158663916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).