4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane

C24H39N7OS — CID 142946928

IUPAC4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane
SMILESCC.CCc1cnn2c(Nc3ccc(S(=O)N(C)C)cc3)cc(N(C)CCCN(C)C)nc12
InChIInChI=1S/C22H33N7OS.C2H6/c1-7-17-16-23-29-21(24-18-9-11-19(12-10-18)31(30)27(4)5)15-20(25-22(17)29)28(6)14-8-13-26(2)3;1-2/h9-12,15-16,24H,7-8,13-14H2,1-6H3;1-2H3
InChIKeyCRXOSVXNAFIXON-UHFFFAOYSA-N
MW473.69 g/mol
LogP4.03
Rot. Bonds10

About 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane

4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane (PubChem CID 142946928) has the molecular formula C24H39N7OS and a molecular weight of 473.69 g/mol. Its IUPAC name is 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane.

Molecular Properties

Compound Name4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane
PubChem CID142946928
Molecular FormulaC24H39N7OS
Molecular Weight473.69 g/mol
Exact Mass473.29
IUPAC Name4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane
SMILESCC.CCc1cnn2c(Nc3ccc(S(=O)N(C)C)cc3)cc(N(C)CCCN(C)C)nc12
InChIInChI=1S/C22H33N7OS.C2H6/c1-7-17-16-23-29-21(24-18-9-11-19(12-10-18)31(30)27(4)5)15-20(25-22(17)29)28(6)14-8-13-26(2)3;1-2/h9-12,15-16,24H,7-8,13-14H2,1-6H3;1-2H3
InChIKeyCRXOSVXNAFIXON-UHFFFAOYSA-N
XLogP4.03
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;4-[[3-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide
CID 142946941
4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide
CID 142946934
2-[2-[[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]ethoxy]ethanesulfonyl chloride
CID 164925844
1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142946937
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 58938394
N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide
CID 146180221
7-[4-[bis(2-chloroethyl)amino]anilino]-5-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 134148833
5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
CID 143090320
N-[4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]sulfanyl-N',N'-dimethylethane-1,2-diamine
CID 142876629
N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58938347
N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699861
2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957496

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane?
The IUPAC name of 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane (CID 142946928) is 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane.
What is the SMILES notation for 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane?
The canonical SMILES for 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane is CC.CCc1cnn2c(Nc3ccc(S(=O)N(C)C)cc3)cc(N(C)CCCN(C)C)nc12.
What is the InChIKey of 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane?
The InChIKey is CRXOSVXNAFIXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7OS.C2H6/c1-7-17-16-23-29-21(24-18-9-11-19(12-10-18)31(30)27(4)5)15-20(25-22(17)29)28(6)14-8-13-26(2)3;1-2/h9-12,15-16,24H,7-8,13-14H2,1-6H3;1-2H3.
What are the key properties of 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane?
4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane has a molecular weight of 473.69 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane is sourced from PubChem (CID 142946928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).