3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C22H28N8OS — CID 74396159

IUPAC3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCOCC1(C)CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1
InChIInChI=1S/C22H28N8OS/c1-15-11-30-18(16-8-24-25-9-16)10-23-21(30)20(26-15)27-19-7-17(28-32-19)12-29-6-4-5-22(2,13-29)14-31-3/h7-11H,4-6,12-14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyMDERIMDTONVDFE-UHFFFAOYSA-N
MW452.59 g/mol
LogP3.88
Rot. Bonds7

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

3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 74396159) has the molecular formula C22H28N8OS and a molecular weight of 452.59 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID74396159
Molecular FormulaC22H28N8OS
Molecular Weight452.59 g/mol
Exact Mass452.21
IUPAC Name3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCOCC1(C)CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1
InChIInChI=1S/C22H28N8OS/c1-15-11-30-18(16-8-24-25-9-16)10-23-21(30)20(26-15)27-19-7-17(28-32-19)12-29-6-4-5-22(2,13-29)14-31-3/h7-11H,4-6,12-14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyMDERIMDTONVDFE-UHFFFAOYSA-N
XLogP3.88
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-(Ethyl((5-((6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol
CID 25144732
3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)isothiazol-5-amine
CID 46868971
N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 49867401
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
SCH-1473759 hydrochloride
CID 53317913
2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]ethanol
CID 145967951
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 16666228
N-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094245
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(6-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25143601
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 25144294
3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25144582

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 74396159) is 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is COCC1(C)CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1.
What is the InChIKey of 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is MDERIMDTONVDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8OS/c1-15-11-30-18(16-8-24-25-9-16)10-23-21(30)20(26-15)27-19-7-17(28-32-19)12-29-6-4-5-22(2,13-29)14-31-3/h7-11H,4-6,12-14H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 452.59 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 74396159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).