N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide

C19H19FN6O3S — CID 166082244

IUPACN-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide
SMILESCc1nsc(-c2nc(NC(=O)CO)c3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1
InChIInChI=1S/C19H19FN6O3S/c1-10-15-16(22-14(28)9-27)23-17(18-21-11(2)24-30-18)26(15)8-7-25(10)19(29)12-3-5-13(20)6-4-12/h3-6,10,27H,7-9H2,1-2H3,(H,22,28)
InChIKeyAKYJHNITCVAYQT-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.00
Rot. Bonds4

About N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide

N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide (PubChem CID 166082244) has the molecular formula C19H19FN6O3S and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide
PubChem CID166082244
Molecular FormulaC19H19FN6O3S
Molecular Weight430.47 g/mol
Exact Mass430.12
IUPAC NameN-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide
SMILESCc1nsc(-c2nc(NC(=O)CO)c3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1
InChIInChI=1S/C19H19FN6O3S/c1-10-15-16(22-14(28)9-27)23-17(18-21-11(2)24-30-18)26(15)8-7-25(10)19(29)12-3-5-13(20)6-4-12/h3-6,10,27H,7-9H2,1-2H3,(H,22,28)
InChIKeyAKYJHNITCVAYQT-UHFFFAOYSA-N
XLogP2.00
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide with MolForge

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Related Compounds

2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide
CID 174200380
N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-methoxypropanamide
CID 171760139
N-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]methanesulfonamide
CID 166082409
[(8R)-1-(2,6-difluorophenyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 166082261
(4-fluorophenyl)-[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 166082162
(4-fluorophenyl)-[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 174205288
N-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylcyclopropanecarboxamide
CID 166082127
(3S)-1-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-hydroxypyrrolidin-2-one
CID 166082282
(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(2-sulfanylidenepyrrolidin-1-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 171760110
[(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 166082234
(3R)-3-fluoro-1-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one
CID 166082160
N-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylbenzamide
CID 166082366

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide?
The IUPAC name of N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide (CID 166082244) is N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide is Cc1nsc(-c2nc(NC(=O)CO)c3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1.
What is the InChIKey of N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide?
The InChIKey is AKYJHNITCVAYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3S/c1-10-15-16(22-14(28)9-27)23-17(18-21-11(2)24-30-18)26(15)8-7-25(10)19(29)12-3-5-13(20)6-4-12/h3-6,10,27H,7-9H2,1-2H3,(H,22,28).
What are the key properties of N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide?
N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide has a molecular weight of 430.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide is sourced from PubChem (CID 166082244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).