N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide

C20H22N4O3 — CID 91909708

IUPACN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-27-10-9-24-15(13-23-8-4-7-18(23)20(24)26)12-21-19(25)17-11-14-5-2-3-6-16(14)22-17/h2-8,11,15,22H,9-10,12-13H2,1H3,(H,21,25)
InChIKeySCSYGTXKSIZDQL-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.87
Rot. Bonds6

About N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 91909708) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID91909708
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-27-10-9-24-15(13-23-8-4-7-18(23)20(24)26)12-21-19(25)17-11-14-5-2-3-6-16(14)22-17/h2-8,11,15,22H,9-10,12-13H2,1H3,(H,21,25)
InChIKeySCSYGTXKSIZDQL-UHFFFAOYSA-N
XLogP1.87
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide (CID 91909708) is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide is COCCN1C(=O)c2cccn2CC1CNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is SCSYGTXKSIZDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-10-9-24-15(13-23-8-4-7-18(23)20(24)26)12-21-19(25)17-11-14-5-2-3-6-16(14)22-17/h2-8,11,15,22H,9-10,12-13H2,1H3,(H,21,25).
What are the key properties of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide?
N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91909708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).