6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine

C22H22ClN5O2 — CID 71448338

IUPAC6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine
SMILESCOc1ccc(CNc2nc3cnc(Nc4cccc(Cl)c4)cc3n2C)cc1OC
InChIInChI=1S/C22H22ClN5O2/c1-28-18-11-21(26-16-6-4-5-15(23)10-16)24-13-17(18)27-22(28)25-12-14-7-8-19(29-2)20(9-14)30-3/h4-11,13H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyYMEHHTKZDQVHEH-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.99
Rot. Bonds7

About 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine

6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 71448338) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine
PubChem CID71448338
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine
SMILESCOc1ccc(CNc2nc3cnc(Nc4cccc(Cl)c4)cc3n2C)cc1OC
InChIInChI=1S/C22H22ClN5O2/c1-28-18-11-21(26-16-6-4-5-15(23)10-16)24-13-17(18)27-22(28)25-12-14-7-8-19(29-2)20(9-14)30-3/h4-11,13H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyYMEHHTKZDQVHEH-UHFFFAOYSA-N
XLogP4.99
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine?
The IUPAC name of 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine (CID 71448338) is 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine is COc1ccc(CNc2nc3cnc(Nc4cccc(Cl)c4)cc3n2C)cc1OC.
What is the InChIKey of 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is YMEHHTKZDQVHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-28-18-11-21(26-16-6-4-5-15(23)10-16)24-13-17(18)27-22(28)25-12-14-7-8-19(29-2)20(9-14)30-3/h4-11,13H,12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine?
6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 423.90 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-1-methylimidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 71448338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).