6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one

C16H18N4O2S — CID 122652330

IUPAC6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1cscn1
InChIInChI=1S/C16H18N4O2S/c1-11-7-20-14(6-17-15(20)12-2-4-22-5-3-12)16(21)19(11)8-13-9-23-10-18-13/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeySQDRHBKRJBDLOC-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.20
Rot. Bonds3

About 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one

6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652330) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652330
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1cscn1
InChIInChI=1S/C16H18N4O2S/c1-11-7-20-14(6-17-15(20)12-2-4-22-5-3-12)16(21)19(11)8-13-9-23-10-18-13/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeySQDRHBKRJBDLOC-UHFFFAOYSA-N
XLogP2.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10858362, Example 78
CID 122652259
2-methyl-5-({3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrazine
CID 72899785
[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97392161
(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 97440551
7-[(4-Isopropyl-1,3-thiazol-2-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 56711197
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71911599
[4-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126832081
2-{5-Methyl-2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-YL]-1H-imidazol-1-YL}propan-1-OL
CID 132432197
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 164641234
1,3-Dimethyl-7-(3-methylbutyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]purine-2,6-dione
CID 121370192
3-Methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7-propylpurine-2,6-dione
CID 47079019
7-{[(4-Methyl-1,3-thiazol-2-yl)thio]acetyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 50982208

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one (CID 122652330) is 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1cscn1.
What is the InChIKey of 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is SQDRHBKRJBDLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11-7-20-14(6-17-15(20)12-2-4-22-5-3-12)16(21)19(11)8-13-9-23-10-18-13/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one?
6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 330.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxan-4-yl)-7-(1,3-thiazol-4-ylmethyl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).