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

C14H15N3O2S — CID 91909658

IUPACN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
SMILESCN1C(=O)c2cccn2CC1CNC(=O)c1cccs1
InChIInChI=1S/C14H15N3O2S/c1-16-10(8-15-13(18)12-5-3-7-20-12)9-17-6-2-4-11(17)14(16)19/h2-7,10H,8-9H2,1H3,(H,15,18)
InChIKeyGHKWPOHIOFEPOB-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.43
Rot. Bonds3

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

N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 91909658) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID91909658
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
SMILESCN1C(=O)c2cccn2CC1CNC(=O)c1cccs1
InChIInChI=1S/C14H15N3O2S/c1-16-10(8-15-13(18)12-5-3-7-20-12)9-17-6-2-4-11(17)14(16)19/h2-7,10H,8-9H2,1H3,(H,15,18)
InChIKeyGHKWPOHIOFEPOB-UHFFFAOYSA-N
XLogP1.43
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide (CID 91909658) is N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide is CN1C(=O)c2cccn2CC1CNC(=O)c1cccs1.
What is the InChIKey of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is GHKWPOHIOFEPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-16-10(8-15-13(18)12-5-3-7-20-12)9-17-6-2-4-11(17)14(16)19/h2-7,10H,8-9H2,1H3,(H,15,18).
What are the key properties of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91909658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).