4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C19H26N8O3S — CID 90067912

IUPAC4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4cn[nH]c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C19H26N8O3S/c1-31(28,29)27-4-2-24(3-5-27)12-16-13-26-14-17(15-10-20-21-11-15)23-19(18(26)22-16)25-6-8-30-9-7-25/h10-11,13-14H,2-9,12H2,1H3,(H,20,21)
InChIKeyGQCQOSUIDRWILE-UHFFFAOYSA-N
MW446.54 g/mol
LogP0.03
Rot. Bonds5

About 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 90067912) has the molecular formula C19H26N8O3S and a molecular weight of 446.54 g/mol. Its IUPAC name is 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID90067912
Molecular FormulaC19H26N8O3S
Molecular Weight446.54 g/mol
Exact Mass446.18
IUPAC Name4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4cn[nH]c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C19H26N8O3S/c1-31(28,29)27-4-2-24(3-5-27)12-16-13-26-14-17(15-10-20-21-11-15)23-19(18(26)22-16)25-6-8-30-9-7-25/h10-11,13-14H,2-9,12H2,1H3,(H,20,21)
InChIKeyGQCQOSUIDRWILE-UHFFFAOYSA-N
XLogP0.03
TPSA111.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697346
5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 70693248
3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 57396608
4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid
CID 90067954
[4-[[8-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 66751450
4-[6-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 56971078
4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine
CID 53353753
6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-5-carbonitrile
CID 57401846
4-[2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-(1H-indazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067975
5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 70695336
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
CID 118213798

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 90067912) is 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine is CS(=O)(=O)N1CCN(Cc2cn3cc(-c4cn[nH]c4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is GQCQOSUIDRWILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O3S/c1-31(28,29)27-4-2-24(3-5-27)12-16-13-26-14-17(15-10-20-21-11-15)23-19(18(26)22-16)25-6-8-30-9-7-25/h10-11,13-14H,2-9,12H2,1H3,(H,20,21).
What are the key properties of 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 446.54 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 90067912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).