N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C22H23N5O4 — CID 91909715

IUPACN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C22H23N5O4/c1-30-10-9-27-14(12-26-8-4-6-17(26)22(27)29)11-23-21(28)20-16-13-31-18-7-3-2-5-15(18)19(16)24-25-20/h2-8,14H,9-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyOUFFDJSJAXNEOE-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.67
Rot. Bonds6

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

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 91909715) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID91909715
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C22H23N5O4/c1-30-10-9-27-14(12-26-8-4-6-17(26)22(27)29)11-23-21(28)20-16-13-31-18-7-3-2-5-15(18)19(16)24-25-20/h2-8,14H,9-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyOUFFDJSJAXNEOE-UHFFFAOYSA-N
XLogP1.67
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide with MolForge

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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]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 91909715) is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is COCCN1C(=O)c2cccn2CC1CNC(=O)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is OUFFDJSJAXNEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-30-10-9-27-14(12-26-8-4-6-17(26)22(27)29)11-23-21(28)20-16-13-31-18-7-3-2-5-15(18)19(16)24-25-20/h2-8,14H,9-13H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 91909715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).