6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one

C22H22N4O5 — CID 155564803

IUPAC6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C22H22N4O5/c1-28-18-6-5-12(7-14(18)23)15-10-17-16(11-24-15)25-22(27)26(17)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11H,23H2,1-4H3,(H,25,27)
InChIKeyPTHNEEFWEZNROH-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.00
Rot. Bonds6

About 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one

6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 155564803) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID155564803
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C22H22N4O5/c1-28-18-6-5-12(7-14(18)23)15-10-17-16(11-24-15)25-22(27)26(17)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11H,23H2,1-4H3,(H,25,27)
InChIKeyPTHNEEFWEZNROH-UHFFFAOYSA-N
XLogP3.00
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 155564803) is 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one is COc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is PTHNEEFWEZNROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-28-18-6-5-12(7-14(18)23)15-10-17-16(11-24-15)25-22(27)26(17)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11H,23H2,1-4H3,(H,25,27).
What are the key properties of 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 422.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 155564803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).