3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide

C18H23N3O2S — CID 91920362

IUPAC3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1Cn2cccc2C(=O)N1CC(C)C
InChIInChI=1S/C18H23N3O2S/c1-12(2)10-21-14(11-20-7-4-5-15(20)18(21)23)9-19-17(22)16-13(3)6-8-24-16/h4-8,12,14H,9-11H2,1-3H3,(H,19,22)
InChIKeyXAQQZPNOKKTUGQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.77
Rot. Bonds5

About 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide

3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 91920362) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID91920362
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1Cn2cccc2C(=O)N1CC(C)C
InChIInChI=1S/C18H23N3O2S/c1-12(2)10-21-14(11-20-7-4-5-15(20)18(21)23)9-19-17(22)16-13(3)6-8-24-16/h4-8,12,14H,9-11H2,1-3H3,(H,19,22)
InChIKeyXAQQZPNOKKTUGQ-UHFFFAOYSA-N
XLogP2.77
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide 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-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide (CID 91920362) is 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCC1Cn2cccc2C(=O)N1CC(C)C.
What is the InChIKey of 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is XAQQZPNOKKTUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)10-21-14(11-20-7-4-5-15(20)18(21)23)9-19-17(22)16-13(3)6-8-24-16/h4-8,12,14H,9-11H2,1-3H3,(H,19,22).
What are the key properties of 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide?
3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91920362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).