(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone

C23H29N5O — CID 53149033

IUPAC(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
SMILESCCCn1c(-c2cccc(C(=O)N3CCN(C(C)C)CC3)c2)nc2cccnc21
InChIInChI=1S/C23H29N5O/c1-4-11-28-21(25-20-9-6-10-24-22(20)28)18-7-5-8-19(16-18)23(29)27-14-12-26(13-15-27)17(2)3/h5-10,16-17H,4,11-15H2,1-3H3
InChIKeyDIYKXFGPIKCFTQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.67
Rot. Bonds5

About (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone

(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone (PubChem CID 53149033) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
PubChem CID53149033
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
SMILESCCCn1c(-c2cccc(C(=O)N3CCN(C(C)C)CC3)c2)nc2cccnc21
InChIInChI=1S/C23H29N5O/c1-4-11-28-21(25-20-9-6-10-24-22(20)28)18-7-5-8-19(16-18)23(29)27-14-12-26(13-15-27)17(2)3/h5-10,16-17H,4,11-15H2,1-3H3
InChIKeyDIYKXFGPIKCFTQ-UHFFFAOYSA-N
XLogP3.67
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone 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 (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone (CID 53149033) is (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone is CCCn1c(-c2cccc(C(=O)N3CCN(C(C)C)CC3)c2)nc2cccnc21.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The InChIKey is DIYKXFGPIKCFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-4-11-28-21(25-20-9-6-10-24-22(20)28)18-7-5-8-19(16-18)23(29)27-14-12-26(13-15-27)17(2)3/h5-10,16-17H,4,11-15H2,1-3H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone has a molecular weight of 391.52 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone is sourced from PubChem (CID 53149033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).