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

C25H23FN6O2S — CID 166082366

IUPACN-[(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
SMILESCc1nsc(-c2nc(N(C)C(=O)c3ccccc3)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C25H23FN6O2S/c1-15-20-21(30(3)24(33)17-7-5-4-6-8-17)28-22(23-27-16(2)29-35-23)32(20)14-13-31(15)25(34)18-9-11-19(26)12-10-18/h4-12,15H,13-14H2,1-3H3/t15-/m1/s1
InChIKeyIIBIHYWSWUCKFU-OAHLLOKOSA-N
MW490.56 g/mol
LogP4.34
Rot. Bonds4

About 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

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 (PubChem CID 166082366) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID166082366
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC NameN-[(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
SMILESCc1nsc(-c2nc(N(C)C(=O)c3ccccc3)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C25H23FN6O2S/c1-15-20-21(30(3)24(33)17-7-5-4-6-8-17)28-22(23-27-16(2)29-35-23)32(20)14-13-31(15)25(34)18-9-11-19(26)12-10-18/h4-12,15H,13-14H2,1-3H3/t15-/m1/s1
InChIKeyIIBIHYWSWUCKFU-OAHLLOKOSA-N
XLogP4.34
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nsc(-c2nc(N(C)C(=O)c3ccccc3)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1.
What is the InChIKey of 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?
The InChIKey is IIBIHYWSWUCKFU-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c1-15-20-21(30(3)24(33)17-7-5-4-6-8-17)28-22(23-27-16(2)29-35-23)32(20)14-13-31(15)25(34)18-9-11-19(26)12-10-18/h4-12,15H,13-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 490.56 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166082366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).