1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide

C18H21N5OS — CID 97382129

IUPAC1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1cccs1)CC2
InChIInChI=1S/C18H21N5OS/c1-21-6-2-5-16(21)18(24)19-10-14-11-23-8-7-22(13-17(23)20-14)12-15-4-3-9-25-15/h2-6,9,11H,7-8,10,12-13H2,1H3,(H,19,24)
InChIKeyFLBAZTRKUNPPSE-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.23
Rot. Bonds5

About 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide

1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide (PubChem CID 97382129) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
PubChem CID97382129
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1cccs1)CC2
InChIInChI=1S/C18H21N5OS/c1-21-6-2-5-16(21)18(24)19-10-14-11-23-8-7-22(13-17(23)20-14)12-15-4-3-9-25-15/h2-6,9,11H,7-8,10,12-13H2,1H3,(H,19,24)
InChIKeyFLBAZTRKUNPPSE-UHFFFAOYSA-N
XLogP2.23
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 828652
4-methylsulfanyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-pyrrole-2-carboxamide
CID 118725853
N-[7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 843190
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 67123042
N-[2-(1-propyl-1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[2-(1-butyl-1H-1,3-benzodiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 2976138
N-[(1-pentylbenzimidazol-2-yl)methyl]-2-thienylcarboxamide
CID 3237449
N-[1-(1-butyl-1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 3243597
N-[3-(1-pentylbenzimidazol-2-yl)propyl]-2-thienylcarboxamide
CID 3999689
N-(imidazo[1,2-a]pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 5310064
N-((7-methylimidazo[1,2-a]pyridin-2-yl)methyl)thiophene-2-carboxamide
CID 7150712
3-methyl-N-[(E)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 9667689

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide (CID 97382129) is 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1cccs1)CC2.
What is the InChIKey of 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is FLBAZTRKUNPPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-21-6-2-5-16(21)18(24)19-10-14-11-23-8-7-22(13-17(23)20-14)12-15-4-3-9-25-15/h2-6,9,11H,7-8,10,12-13H2,1H3,(H,19,24).
What are the key properties of 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide?
1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 97382129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).