3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

C22H21N5O4 — CID 70225845

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5c(c4)CCN5)c3n2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O4/c1-29-17-9-13(10-18(30-2)19(17)31-3)16-11-24-20-21(25-16)27(22(28)26-20)14-4-5-15-12(8-14)6-7-23-15/h4-5,8-11,23H,6-7H2,1-3H3,(H,24,26,28)
InChIKeyKELPJQDFEZYOOQ-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.77
Rot. Bonds5

About 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 70225845) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID70225845
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5c(c4)CCN5)c3n2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O4/c1-29-17-9-13(10-18(30-2)19(17)31-3)16-11-24-20-21(25-16)27(22(28)26-20)14-4-5-15-12(8-14)6-7-23-15/h4-5,8-11,23H,6-7H2,1-3H3,(H,24,26,28)
InChIKeyKELPJQDFEZYOOQ-UHFFFAOYSA-N
XLogP2.77
TPSA103.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 70225845) is 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is COc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5c(c4)CCN5)c3n2)cc(OC)c1OC.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is KELPJQDFEZYOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-29-17-9-13(10-18(30-2)19(17)31-3)16-11-24-20-21(25-16)27(22(28)26-20)14-4-5-15-12(8-14)6-7-23-15/h4-5,8-11,23H,6-7H2,1-3H3,(H,24,26,28).
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 419.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 70225845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).