N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide

C14H19N5O4S — CID 131646145

IUPACN-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
SMILESCc1noc(C)c1C(=O)N1Cc2cncn2C(CNS(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O4S/c1-9-13(10(2)23-17-9)14(20)18-6-11-4-15-8-19(11)12(7-18)5-16-24(3,21)22/h4,8,12,16H,5-7H2,1-3H3
InChIKeyDDNAGJFLKQTACA-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.23
Rot. Bonds4

About N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide

N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide (PubChem CID 131646145) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
PubChem CID131646145
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC NameN-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
SMILESCc1noc(C)c1C(=O)N1Cc2cncn2C(CNS(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O4S/c1-9-13(10(2)23-17-9)14(20)18-6-11-4-15-8-19(11)12(7-18)5-16-24(3,21)22/h4,8,12,16H,5-7H2,1-3H3
InChIKeyDDNAGJFLKQTACA-UHFFFAOYSA-N
XLogP0.23
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[7-(cyclopentene-1-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131639258
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155837781
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038
N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124835004
N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124784097
N-[[(5S)-7-[2-(2-methylphenoxy)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124806194
N-[[(5R)-7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124782697
N-[[(7S)-5-(3-methyl-1,2-oxazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124912837
5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142151
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
N-[[5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133144290
(5-cyclopropyl-1,2-oxazol-3-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124820262

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide (CID 131646145) is N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide is Cc1noc(C)c1C(=O)N1Cc2cncn2C(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
The InChIKey is DDNAGJFLKQTACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-9-13(10(2)23-17-9)14(20)18-6-11-4-15-8-19(11)12(7-18)5-16-24(3,21)22/h4,8,12,16H,5-7H2,1-3H3.
What are the key properties of N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide?
N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131646145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).