6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

C23H17N7 — CID 86566369

IUPAC6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCC(c1ccc2ncccc2c1)n1cnc2ncc(-c3cnc4[nH]ccc4c3)nc21
InChIInChI=1S/C23H17N7/c1-14(15-4-5-19-16(9-15)3-2-7-24-19)30-13-28-22-23(30)29-20(12-27-22)18-10-17-6-8-25-21(17)26-11-18/h2-14H,1H3,(H,25,26)
InChIKeyCEHIJKFONOWOAG-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.53
Rot. Bonds3

About 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 86566369) has the molecular formula C23H17N7 and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID86566369
Molecular FormulaC23H17N7
Molecular Weight391.44 g/mol
Exact Mass391.15
IUPAC Name6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCC(c1ccc2ncccc2c1)n1cnc2ncc(-c3cnc4[nH]ccc4c3)nc21
InChIInChI=1S/C23H17N7/c1-14(15-4-5-19-16(9-15)3-2-7-24-19)30-13-28-22-23(30)29-20(12-27-22)18-10-17-6-8-25-21(17)26-11-18/h2-14H,1H3,(H,25,26)
InChIKeyCEHIJKFONOWOAG-UHFFFAOYSA-N
XLogP4.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline 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 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 86566369) is 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is CC(c1ccc2ncccc2c1)n1cnc2ncc(-c3cnc4[nH]ccc4c3)nc21.
What is the InChIKey of 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is CEHIJKFONOWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7/c1-14(15-4-5-19-16(9-15)3-2-7-24-19)30-13-28-22-23(30)29-20(12-27-22)18-10-17-6-8-25-21(17)26-11-18/h2-14H,1H3,(H,25,26).
What are the key properties of 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 391.44 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 86566369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).