ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C22H23N7OS2 — CID 143670515

IUPACethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCC.COc1cccc(Sc2cn3c(-c4cn[nH]c4)cnc3c(Nc3cc(C)ns3)n2)c1
InChIInChI=1S/C20H17N7OS2.C2H6/c1-12-6-17(30-26-12)24-19-20-21-10-16(13-8-22-23-9-13)27(20)11-18(25-19)29-15-5-3-4-14(7-15)28-2;1-2/h3-11H,1-2H3,(H,22,23)(H,24,25);1-2H3
InChIKeyODPLZFOIBQAXJN-UHFFFAOYSA-N
MW465.61 g/mol
LogP5.81
Rot. Bonds6

About ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 143670515) has the molecular formula C22H23N7OS2 and a molecular weight of 465.61 g/mol. Its IUPAC name is ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Nameethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID143670515
Molecular FormulaC22H23N7OS2
Molecular Weight465.61 g/mol
Exact Mass465.14
IUPAC Nameethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCC.COc1cccc(Sc2cn3c(-c4cn[nH]c4)cnc3c(Nc3cc(C)ns3)n2)c1
InChIInChI=1S/C20H17N7OS2.C2H6/c1-12-6-17(30-26-12)24-19-20-21-10-16(13-8-22-23-9-13)27(20)11-18(25-19)29-15-5-3-4-14(7-15)28-2;1-2/h3-11H,1-2H3,(H,22,23)(H,24,25);1-2H3
InChIKeyODPLZFOIBQAXJN-UHFFFAOYSA-N
XLogP5.81
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.61
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Related Compounds

3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25094324
N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 143670529
N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane
CID 143670531
3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25144431
N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 71024032
CID 89219235
CID 89219235
3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 143756478
3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 50994742
1-(azepan-1-yl)-2-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]ethanone
CID 71044825
3-[2-(dimethylamino)ethoxymethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25144296
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine
CID 52945733
3-[(3,3-difluoroazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;2,2,2-trifluoroacetic acid
CID 53324537

Frequently Asked Questions

What is the IUPAC name of ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 143670515) is ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is CC.COc1cccc(Sc2cn3c(-c4cn[nH]c4)cnc3c(Nc3cc(C)ns3)n2)c1.
What is the InChIKey of ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is ODPLZFOIBQAXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7OS2.C2H6/c1-12-6-17(30-26-12)24-19-20-21-10-16(13-8-22-23-9-13)27(20)11-18(25-19)29-15-5-3-4-14(7-15)28-2;1-2/h3-11H,1-2H3,(H,22,23)(H,24,25);1-2H3.
What are the key properties of ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 465.61 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[6-(3-methoxyphenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 143670515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).