6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C17H20N4O2S — CID 122652259

IUPAC6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1nc(Cn2c(C)cn3c(C4CCOCC4)ncc3c2=O)cs1
InChIInChI=1S/C17H20N4O2S/c1-11-8-21-15(7-18-16(21)13-3-5-23-6-4-13)17(22)20(11)9-14-10-24-12(2)19-14/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeySFJUWCCYAPWXBB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.51
Rot. Bonds3

About 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652259) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652259
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1nc(Cn2c(C)cn3c(C4CCOCC4)ncc3c2=O)cs1
InChIInChI=1S/C17H20N4O2S/c1-11-8-21-15(7-18-16(21)13-3-5-23-6-4-13)17(22)20(11)9-14-10-24-12(2)19-14/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeySFJUWCCYAPWXBB-UHFFFAOYSA-N
XLogP2.51
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US10858362, Example 80
CID 122652330
(2-methyl-1H-imidazol-5-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72122403
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
N-[2-[(4aR,6S)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-1-methylimidazole-4-carboxamide
CID 118435567
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
US9744173, Example 75
CID 118435564

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652259) is 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1nc(Cn2c(C)cn3c(C4CCOCC4)ncc3c2=O)cs1.
What is the InChIKey of 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is SFJUWCCYAPWXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-8-21-15(7-18-16(21)13-3-5-23-6-4-13)17(22)20(11)9-14-10-24-12(2)19-14/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 344.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).