N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine

C21H19ClN4O2 — CID 71447822

IUPACN-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine
SMILESCOc1ccc(Cn2cnc3cnc(Nc4cccc(Cl)c4)cc32)cc1OC
InChIInChI=1S/C21H19ClN4O2/c1-27-19-7-6-14(8-20(19)28-2)12-26-13-24-17-11-23-21(10-18(17)26)25-16-5-3-4-15(22)9-16/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyMJUZMJYLXUAGKV-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.89
Rot. Bonds6

About N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine

N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 71447822) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine
PubChem CID71447822
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine
SMILESCOc1ccc(Cn2cnc3cnc(Nc4cccc(Cl)c4)cc32)cc1OC
InChIInChI=1S/C21H19ClN4O2/c1-27-19-7-6-14(8-20(19)28-2)12-26-13-24-17-11-23-21(10-18(17)26)25-16-5-3-4-15(22)9-16/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyMJUZMJYLXUAGKV-UHFFFAOYSA-N
XLogP4.89
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine (CID 71447822) is N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine is COc1ccc(Cn2cnc3cnc(Nc4cccc(Cl)c4)cc32)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is MJUZMJYLXUAGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-27-19-7-6-14(8-20(19)28-2)12-26-13-24-17-11-23-21(10-18(17)26)25-16-5-3-4-15(22)9-16/h3-11,13H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine?
N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 394.86 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 71447822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).