[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone

C24H22N4O2 — CID 11574842

IUPAC[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N4CCCC4)c3)nc12
InChIInChI=1S/C24H22N4O2/c1-30-21-10-3-2-9-18(21)19-14-25-23-22(19)27-20(15-26-23)16-7-6-8-17(13-16)24(29)28-11-4-5-12-28/h2-3,6-10,13-15H,4-5,11-12H2,1H3,(H,25,26)
InChIKeyPKOQTVNETMCZII-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.54
Rot. Bonds4

About [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone

[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 11574842) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID11574842
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N4CCCC4)c3)nc12
InChIInChI=1S/C24H22N4O2/c1-30-21-10-3-2-9-18(21)19-14-25-23-22(19)27-20(15-26-23)16-7-6-8-17(13-16)24(29)28-11-4-5-12-28/h2-3,6-10,13-15H,4-5,11-12H2,1H3,(H,25,26)
InChIKeyPKOQTVNETMCZII-UHFFFAOYSA-N
XLogP4.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 11574842) is [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone is COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N4CCCC4)c3)nc12.
What is the InChIKey of [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PKOQTVNETMCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-21-10-3-2-9-18(21)19-14-25-23-22(19)27-20(15-26-23)16-7-6-8-17(13-16)24(29)28-11-4-5-12-28/h2-3,6-10,13-15H,4-5,11-12H2,1H3,(H,25,26).
What are the key properties of [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 11574842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).