5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C21H25ClF3N9O3S — CID 70695336

IUPAC5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C21H25ClF3N9O3S/c1-38(35,36)33-4-2-31(3-5-33)11-13-12-34-17(22)15(14-10-27-20(26)30-16(14)21(23,24)25)29-18(19(34)28-13)32-6-8-37-9-7-32/h10,12H,2-9,11H2,1H3,(H2,26,27,30)
InChIKeyWGKCISMUMXVUST-UHFFFAOYSA-N
MW576.01 g/mol
LogP1.35
Rot. Bonds5

About 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 70695336) has the molecular formula C21H25ClF3N9O3S and a molecular weight of 576.01 g/mol. Its IUPAC name is 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID70695336
Molecular FormulaC21H25ClF3N9O3S
Molecular Weight576.01 g/mol
Exact Mass575.14
IUPAC Name5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C21H25ClF3N9O3S/c1-38(35,36)33-4-2-31(3-5-33)11-13-12-34-17(22)15(14-10-27-20(26)30-16(14)21(23,24)25)29-18(19(34)28-13)32-6-8-37-9-7-32/h10,12H,2-9,11H2,1H3,(H2,26,27,30)
InChIKeyWGKCISMUMXVUST-UHFFFAOYSA-N
XLogP1.35
TPSA135.08 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.01
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 70693248
4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 57396608
6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-5-carbonitrile
CID 57401846
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
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697346
5-[2-[(4-methylpiperazin-1-yl)methyl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-4-(trifluoromethyl)pyrimidin-2-amine;sulfur monoxide
CID 159954925
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067912
4-[2-(2-methylpyrimidin-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24948735
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652
5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine
CID 159915750
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613997

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 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) is 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine is CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WGKCISMUMXVUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF3N9O3S/c1-38(35,36)33-4-2-31(3-5-33)11-13-12-34-17(22)15(14-10-27-20(26)30-16(14)21(23,24)25)29-18(19(34)28-13)32-6-8-37-9-7-32/h10,12H,2-9,11H2,1H3,(H2,26,27,30).
What are the key properties of 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 576.01 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 70695336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).