4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C23H27ClN8O3S — CID 57396608

IUPAC4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
InChIKeyHLDCXWKYXYQREF-UHFFFAOYSA-N
MW531.04 g/mol
LogP1.84
Rot. Bonds5

About 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 57396608) has the molecular formula C23H27ClN8O3S and a molecular weight of 531.04 g/mol. Its IUPAC name is 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID57396608
Molecular FormulaC23H27ClN8O3S
Molecular Weight531.04 g/mol
Exact Mass530.16
IUPAC Name4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
InChIKeyHLDCXWKYXYQREF-UHFFFAOYSA-N
XLogP1.84
TPSA111.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.04
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-5-carbonitrile
CID 57401846
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
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
4-[2-(1H-indazol-4-yl)-9-(2-methoxyethyl)-8-[(4-methylsulfonylpiperazin-1-yl)methyl]purin-6-yl]morpholine
CID 44543871
4-[6-(1H-indazol-4-yl)-2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 56966914
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
8-[[6-(1H-indazol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 90067971
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067912
4-[2-(1H-indazol-4-yl)-6-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593168
4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfonylpiperidin-4-ol
CID 59592875
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697346
5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 90067952

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 57396608) is 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is HLDCXWKYXYQREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28).
What are the key properties of 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 531.04 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 57396608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).