N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine

C18H16N8OS — CID 173086796

IUPACN-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine
SMILESCc1cc(NC2=CN(Sc3ccc(-c4nnco4)cc3)Cc3nccn32)n[nH]1
InChIInChI=1S/C18H16N8OS/c1-12-8-15(23-22-12)21-17-10-25(9-16-19-6-7-26(16)17)28-14-4-2-13(3-5-14)18-24-20-11-27-18/h2-8,10-11H,9H2,1H3,(H2,21,22,23)
InChIKeyYPIHRPGDWMZGTH-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.36
Rot. Bonds5

About N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine

N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine (PubChem CID 173086796) has the molecular formula C18H16N8OS and a molecular weight of 392.45 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine
PubChem CID173086796
Molecular FormulaC18H16N8OS
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine
SMILESCc1cc(NC2=CN(Sc3ccc(-c4nnco4)cc3)Cc3nccn32)n[nH]1
InChIInChI=1S/C18H16N8OS/c1-12-8-15(23-22-12)21-17-10-25(9-16-19-6-7-26(16)17)28-14-4-2-13(3-5-14)18-24-20-11-27-18/h2-8,10-11H,9H2,1H3,(H2,21,22,23)
InChIKeyYPIHRPGDWMZGTH-UHFFFAOYSA-N
XLogP3.36
TPSA100.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide
CID 173087066
N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide
CID 173086967
7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 173086589
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(4-methylphenyl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087210
N-[4-[[2-[(4-methylpiperazin-1-yl)methyl]-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 173087463
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(2,6-dimethylphenyl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087467
7-(3-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087413
7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173086806
2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-1,3,4-oxadiazole
CID 145294743
7-(5-chloro-2-methoxyphenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087326
1,1-diethyl-3-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]sulfanyl]phenyl]urea
CID 173087083
ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 168929695

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine (CID 173086796) is N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine is Cc1cc(NC2=CN(Sc3ccc(-c4nnco4)cc3)Cc3nccn32)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine?
The InChIKey is YPIHRPGDWMZGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8OS/c1-12-8-15(23-22-12)21-17-10-25(9-16-19-6-7-26(16)17)28-14-4-2-13(3-5-14)18-24-20-11-27-18/h2-8,10-11H,9H2,1H3,(H2,21,22,23).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine?
N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine has a molecular weight of 392.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine is sourced from PubChem (CID 173086796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).