1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine

C24H26N4O3 — CID 155553959

IUPAC1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine
SMILESCOc1cc(-c2cc3c(cn2)nc(NCc2cccc(C)c2)n3C)cc(OC)c1OC
InChIInChI=1S/C24H26N4O3/c1-15-7-6-8-16(9-15)13-26-24-27-19-14-25-18(12-20(19)28(24)2)17-10-21(29-3)23(31-5)22(11-17)30-4/h6-12,14H,13H2,1-5H3,(H,26,27)
InChIKeyBDNVVSCWPSOUAM-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.58
Rot. Bonds7

About 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine

1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 155553959) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine
PubChem CID155553959
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine
SMILESCOc1cc(-c2cc3c(cn2)nc(NCc2cccc(C)c2)n3C)cc(OC)c1OC
InChIInChI=1S/C24H26N4O3/c1-15-7-6-8-16(9-15)13-26-24-27-19-14-25-18(12-20(19)28(24)2)17-10-21(29-3)23(31-5)22(11-17)30-4/h6-12,14H,13H2,1-5H3,(H,26,27)
InChIKeyBDNVVSCWPSOUAM-UHFFFAOYSA-N
XLogP4.58
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine (CID 155553959) is 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine is COc1cc(-c2cc3c(cn2)nc(NCc2cccc(C)c2)n3C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is BDNVVSCWPSOUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15-7-6-8-16(9-15)13-26-24-27-19-14-25-18(12-20(19)28(24)2)17-10-21(29-3)23(31-5)22(11-17)30-4/h6-12,14H,13H2,1-5H3,(H,26,27).
What are the key properties of 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine?
1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 418.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 155553959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).