3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine

C16H15Cl3N4 — CID 130447895

IUPAC3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine
SMILESClc1cc(Cl)cc(CNCCCc2nc3nc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C16H15Cl3N4/c17-11-6-10(7-12(18)8-11)9-20-5-1-2-15-21-13-3-4-14(19)22-16(13)23-15/h3-4,6-8,20H,1-2,5,9H2,(H,21,22,23)
InChIKeyQXDNWXCSVXOSNT-UHFFFAOYSA-N
MW369.68 g/mol
LogP4.64
Rot. Bonds6

About 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine

3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine (PubChem CID 130447895) has the molecular formula C16H15Cl3N4 and a molecular weight of 369.68 g/mol. Its IUPAC name is 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine
PubChem CID130447895
Molecular FormulaC16H15Cl3N4
Molecular Weight369.68 g/mol
Exact Mass368.04
IUPAC Name3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine
SMILESClc1cc(Cl)cc(CNCCCc2nc3nc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C16H15Cl3N4/c17-11-6-10(7-12(18)8-11)9-20-5-1-2-15-21-13-3-4-14(19)22-16(13)23-15/h3-4,6-8,20H,1-2,5,9H2,(H,21,22,23)
InChIKeyQXDNWXCSVXOSNT-UHFFFAOYSA-N
XLogP4.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine 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 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine (CID 130447895) is 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine is Clc1cc(Cl)cc(CNCCCc2nc3nc(Cl)ccc3[nH]2)c1.
What is the InChIKey of 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is QXDNWXCSVXOSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N4/c17-11-6-10(7-12(18)8-11)9-20-5-1-2-15-21-13-3-4-14(19)22-16(13)23-15/h3-4,6-8,20H,1-2,5,9H2,(H,21,22,23).
What are the key properties of 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine?
3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 369.68 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 130447895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).