N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine

C18H20Cl3N5O — CID 130447892

IUPACN'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCN(C)c1nc2nc(Cl)ccc2[nH]1
InChIInChI=1S/C18H20Cl3N5O/c1-3-27-16-11(8-12(19)9-13(16)20)10-22-6-7-26(2)18-23-14-4-5-15(21)24-17(14)25-18/h4-5,8-9,22H,3,6-7,10H2,1-2H3,(H,23,24,25)
InChIKeyGSPJWNNCRMWPLF-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.54
Rot. Bonds8

About N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine

N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 130447892) has the molecular formula C18H20Cl3N5O and a molecular weight of 428.75 g/mol. Its IUPAC name is N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID130447892
Molecular FormulaC18H20Cl3N5O
Molecular Weight428.75 g/mol
Exact Mass427.07
IUPAC NameN'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCN(C)c1nc2nc(Cl)ccc2[nH]1
InChIInChI=1S/C18H20Cl3N5O/c1-3-27-16-11(8-12(19)9-13(16)20)10-22-6-7-26(2)18-23-14-4-5-15(21)24-17(14)25-18/h4-5,8-9,22H,3,6-7,10H2,1-2H3,(H,23,24,25)
InChIKeyGSPJWNNCRMWPLF-UHFFFAOYSA-N
XLogP4.54
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine 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 N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 130447892) is N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine is CCOc1c(Cl)cc(Cl)cc1CNCCN(C)c1nc2nc(Cl)ccc2[nH]1.
What is the InChIKey of N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is GSPJWNNCRMWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3N5O/c1-3-27-16-11(8-12(19)9-13(16)20)10-22-6-7-26(2)18-23-14-4-5-15(21)24-17(14)25-18/h4-5,8-9,22H,3,6-7,10H2,1-2H3,(H,23,24,25).
What are the key properties of N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 428.75 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 130447892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).