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

C22H27N9O3S — CID 53353753

IUPAC4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)cn3n2)CC1
InChIInChI=1S/C22H27N9O3S/c1-35(32,33)30-7-5-28(6-8-30)15-20-25-22-21(29-9-11-34-12-10-29)24-19(14-31(22)27-20)16-3-2-4-18-17(16)13-23-26-18/h2-4,13-14H,5-12,15H2,1H3,(H,23,26)
InChIKeyPKKSZKILNWOTFZ-UHFFFAOYSA-N
MW497.59 g/mol
LogP0.58
Rot. Bonds5

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

4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine (PubChem CID 53353753) has the molecular formula C22H27N9O3S and a molecular weight of 497.59 g/mol. Its IUPAC name is 4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine
PubChem CID53353753
Molecular FormulaC22H27N9O3S
Molecular Weight497.59 g/mol
Exact Mass497.20
IUPAC Name4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)cn3n2)CC1
InChIInChI=1S/C22H27N9O3S/c1-35(32,33)30-7-5-28(6-8-30)15-20-25-22-21(29-9-11-34-12-10-29)24-19(14-31(22)27-20)16-3-2-4-18-17(16)13-23-26-18/h2-4,13-14H,5-12,15H2,1H3,(H,23,26)
InChIKeyPKKSZKILNWOTFZ-UHFFFAOYSA-N
XLogP0.58
TPSA124.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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-(1H-indazol-4-yl)-9-(2-methoxyethyl)-8-[(4-methylsulfonylpiperazin-1-yl)methyl]purin-6-yl]morpholine
CID 44543871
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-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine
CID 66749609
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-[6-(1H-indazol-4-yl)-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 56966913
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-[[4-(4-methylpiperazin-1-yl)sulfonylpiperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59688524

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine?
The IUPAC name of 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) is 4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine is CS(=O)(=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)cn3n2)CC1.
What is the InChIKey of 4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine?
The InChIKey is PKKSZKILNWOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O3S/c1-35(32,33)30-7-5-28(6-8-30)15-20-25-22-21(29-9-11-34-12-10-29)24-19(14-31(22)27-20)16-3-2-4-18-17(16)13-23-26-18/h2-4,13-14H,5-12,15H2,1H3,(H,23,26).
What are the key properties of 4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine?
4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine has a molecular weight of 497.59 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 53353753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).