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

C23H21N5O5 — CID 66779239

IUPAC3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1cc2cc(-n3c(=O)[nH]c4ncc(-c5cc(OC)c(OC)c(OC)c5)nc43)ccc2[nH]1
InChIInChI=1S/C23H21N5O5/c1-30-17-8-13(9-18(31-2)20(17)33-4)16-11-24-21-22(26-16)28(23(29)27-21)14-5-6-15-12(7-14)10-19(25-15)32-3/h5-11,25H,1-4H3,(H,24,27,29)
InChIKeyQXZQYDVQPMERIC-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.29
Rot. Bonds6

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

3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66779239) has the molecular formula C23H21N5O5 and a molecular weight of 447.45 g/mol. Its IUPAC name is 3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66779239
Molecular FormulaC23H21N5O5
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC Name3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1cc2cc(-n3c(=O)[nH]c4ncc(-c5cc(OC)c(OC)c(OC)c5)nc43)ccc2[nH]1
InChIInChI=1S/C23H21N5O5/c1-30-17-8-13(9-18(31-2)20(17)33-4)16-11-24-21-22(26-16)28(23(29)27-21)14-5-6-15-12(7-14)10-19(25-15)32-3/h5-11,25H,1-4H3,(H,24,27,29)
InChIKeyQXZQYDVQPMERIC-UHFFFAOYSA-N
XLogP3.29
TPSA116.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 66779239) is 3-(2-methoxy-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-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is COc1cc2cc(-n3c(=O)[nH]c4ncc(-c5cc(OC)c(OC)c(OC)c5)nc43)ccc2[nH]1.
What is the InChIKey of 3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is QXZQYDVQPMERIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5/c1-30-17-8-13(9-18(31-2)20(17)33-4)16-11-24-21-22(26-16)28(23(29)27-21)14-5-6-15-12(7-14)10-19(25-15)32-3/h5-11,25H,1-4H3,(H,24,27,29).
What are the key properties of 3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 447.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66779239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).