1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione

C24H19FN8O2 — CID 86275278

IUPAC1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2cccc3cccnc23)CC1)c1c[nH]c2c(-n3ccnn3)ncc(F)c12
InChIInChI=1S/C24H19FN8O2/c25-17-14-28-23(33-8-7-29-30-33)21-19(17)16(13-27-21)22(34)24(35)32-11-9-31(10-12-32)18-5-1-3-15-4-2-6-26-20(15)18/h1-8,13-14,27H,9-12H2
InChIKeyGQTJCUVMHYLTSO-UHFFFAOYSA-N
MW470.47 g/mol
LogP2.36
Rot. Bonds4

About 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione

1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 86275278) has the molecular formula C24H19FN8O2 and a molecular weight of 470.47 g/mol. Its IUPAC name is 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione
PubChem CID86275278
Molecular FormulaC24H19FN8O2
Molecular Weight470.47 g/mol
Exact Mass470.16
IUPAC Name1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2cccc3cccnc23)CC1)c1c[nH]c2c(-n3ccnn3)ncc(F)c12
InChIInChI=1S/C24H19FN8O2/c25-17-14-28-23(33-8-7-29-30-33)21-19(17)16(13-27-21)22(34)24(35)32-11-9-31(10-12-32)18-5-1-3-15-4-2-6-26-20(15)18/h1-8,13-14,27H,9-12H2
InChIKeyGQTJCUVMHYLTSO-UHFFFAOYSA-N
XLogP2.36
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione 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-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione (CID 86275278) is 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione is O=C(C(=O)N1CCN(c2cccc3cccnc23)CC1)c1c[nH]c2c(-n3ccnn3)ncc(F)c12.
What is the InChIKey of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is GQTJCUVMHYLTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O2/c25-17-14-28-23(33-8-7-29-30-33)21-19(17)16(13-27-21)22(34)24(35)32-11-9-31(10-12-32)18-5-1-3-15-4-2-6-26-20(15)18/h1-8,13-14,27H,9-12H2.
What are the key properties of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione?
1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 470.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-quinolin-8-ylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 86275278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).