5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C20H27N7O4S — CID 55627104

IUPAC5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H27N7O4S/c1-15-18(16(2)27-20(23-15)17(13-21)14-22-27)3-4-19(28)24-5-7-25(8-6-24)32(29,30)26-9-11-31-12-10-26/h14H,3-12H2,1-2H3
InChIKeyFUCHMCDBQYYDOZ-UHFFFAOYSA-N
MW461.55 g/mol
LogP-0.13
Rot. Bonds5

About 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 55627104) has the molecular formula C20H27N7O4S and a molecular weight of 461.55 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID55627104
Molecular FormulaC20H27N7O4S
Molecular Weight461.55 g/mol
Exact Mass461.18
IUPAC Name5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H27N7O4S/c1-15-18(16(2)27-20(23-15)17(13-21)14-22-27)3-4-19(28)24-5-7-25(8-6-24)32(29,30)26-9-11-31-12-10-26/h14H,3-12H2,1-2H3
InChIKeyFUCHMCDBQYYDOZ-UHFFFAOYSA-N
XLogP-0.13
TPSA124.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 110888155
5,7-dimethyl-6-[3-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 86958228
5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 55626765
6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 97256352
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 46404551
2-[4-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 27807108
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60621717
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 46411974
N-(2-benzylsulfonylethyl)-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 47056071
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
CID 55896270
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 24669751
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 55622541

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 55627104) is 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is FUCHMCDBQYYDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O4S/c1-15-18(16(2)27-20(23-15)17(13-21)14-22-27)3-4-19(28)24-5-7-25(8-6-24)32(29,30)26-9-11-31-12-10-26/h14H,3-12H2,1-2H3.
What are the key properties of 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 461.55 g/mol, XLogP of -0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 55627104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).