1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine

C22H22N4O3 — CID 71448683

IUPAC1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cc(Nc2nccc3c2cc(-c2cccnc2)n3C)cc(OC)c1OC
InChIInChI=1S/C22H22N4O3/c1-26-17-7-9-24-22(16(17)12-18(26)14-6-5-8-23-13-14)25-15-10-19(27-2)21(29-4)20(11-15)28-3/h5-13H,1-4H3,(H,24,25)
InChIKeyYCHHJFYRJLRSIG-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.40
Rot. Bonds6

About 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine

1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 71448683) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID71448683
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cc(Nc2nccc3c2cc(-c2cccnc2)n3C)cc(OC)c1OC
InChIInChI=1S/C22H22N4O3/c1-26-17-7-9-24-22(16(17)12-18(26)14-6-5-8-23-13-14)25-15-10-19(27-2)21(29-4)20(11-15)28-3/h5-13H,1-4H3,(H,24,25)
InChIKeyYCHHJFYRJLRSIG-UHFFFAOYSA-N
XLogP4.40
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-1-methyl-2-pyridin-3-ylpyrrolo[3,2-c]pyridin-4-amine
CID 71729576
N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine
CID 71728544
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine
CID 71728682
6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 117087940
1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
CID 71447809
N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
CID 71729400
2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
CID 117087762
2-N-(pyridin-3-ylmethyl)-9-thiophen-3-yl-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117079553
3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol
CID 68951423
5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11200247
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (CID 71448683) is 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is COc1cc(Nc2nccc3c2cc(-c2cccnc2)n3C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is YCHHJFYRJLRSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-26-17-7-9-24-22(16(17)12-18(26)14-6-5-8-23-13-14)25-15-10-19(27-2)21(29-4)20(11-15)28-3/h5-13H,1-4H3,(H,24,25).
What are the key properties of 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 390.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 71448683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).