7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C20H21N5O2S — CID 131694017

IUPAC7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cncc(C(=O)N2Cc3cncn3C(C(=O)NCCc3cccs3)C2)c1
InChIInChI=1S/C20H21N5O2S/c1-14-7-15(9-21-8-14)20(27)24-11-16-10-22-13-25(16)18(12-24)19(26)23-5-4-17-3-2-6-28-17/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H,23,26)
InChIKeySKEKONBHNLLROQ-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.20
Rot. Bonds5

About 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 131694017) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID131694017
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cncc(C(=O)N2Cc3cncn3C(C(=O)NCCc3cccs3)C2)c1
InChIInChI=1S/C20H21N5O2S/c1-14-7-15(9-21-8-14)20(27)24-11-16-10-22-13-25(16)18(12-24)19(26)23-5-4-17-3-2-6-28-17/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H,23,26)
InChIKeySKEKONBHNLLROQ-UHFFFAOYSA-N
XLogP2.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131660552
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128329
1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide
CID 3496264
2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184624
7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131695249
1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115177853
(7R)-5-cyclopentyl-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124808407
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
7-(cyclobutanecarbonyl)-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694370
1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 166182491
1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 54331304

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 131694017) is 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is Cc1cncc(C(=O)N2Cc3cncn3C(C(=O)NCCc3cccs3)C2)c1.
What is the InChIKey of 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is SKEKONBHNLLROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-14-7-15(9-21-8-14)20(27)24-11-16-10-22-13-25(16)18(12-24)19(26)23-5-4-17-3-2-6-28-17/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H,23,26).
What are the key properties of 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 131694017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).