N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C23H24N4O3 — CID 11976160

IUPACN-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1cc(-c2cc3c(NCCc4ccccn4)ccnc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C23H24N4O3/c1-28-20-12-15(13-21(29-2)22(20)30-3)19-14-17-18(8-11-26-23(17)27-19)25-10-7-16-6-4-5-9-24-16/h4-6,8-9,11-14H,7,10H2,1-3H3,(H2,25,26,27)
InChIKeyBFKIGVKDJBHYMB-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.31
Rot. Bonds8

About N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 11976160) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID11976160
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1cc(-c2cc3c(NCCc4ccccn4)ccnc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C23H24N4O3/c1-28-20-12-15(13-21(29-2)22(20)30-3)19-14-17-18(8-11-26-23(17)27-19)25-10-7-16-6-4-5-9-24-16/h4-6,8-9,11-14H,7,10H2,1-3H3,(H2,25,26,27)
InChIKeyBFKIGVKDJBHYMB-UHFFFAOYSA-N
XLogP4.31
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]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

2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 107258603
6,7-dimethoxy-2-phenyl-N-(2-pyridin-2-ylethyl)quinazolin-4-amine
CID 117093998
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 52882687
4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 71462610
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285860
4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
CID 28902053
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111192179
2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470
(Z)-3-[3,4-dimethoxy-5-(2-pyridin-2-ylethylsulfamoyl)phenyl]prop-2-enoic acid
CID 2089032
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 11976160) is N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is COc1cc(-c2cc3c(NCCc4ccccn4)ccnc3[nH]2)cc(OC)c1OC.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is BFKIGVKDJBHYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-28-20-12-15(13-21(29-2)22(20)30-3)19-14-17-18(8-11-26-23(17)27-19)25-10-7-16-6-4-5-9-24-16/h4-6,8-9,11-14H,7,10H2,1-3H3,(H2,25,26,27).
What are the key properties of N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 404.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11976160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).