5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C21H28N6O2S — CID 58938394

IUPAC5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(NC3CCC(N)CC3)nc12
InChIInChI=1S/C21H28N6O2S/c1-3-14-13-23-27-20(25-17-8-10-18(11-9-17)30(2,28)29)12-19(26-21(14)27)24-16-6-4-15(22)5-7-16/h8-13,15-16,25H,3-7,22H2,1-2H3,(H,24,26)
InChIKeyOKEVAFPHKHLQLI-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.12
Rot. Bonds6

About 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 58938394) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID58938394
Molecular FormulaC21H28N6O2S
Molecular Weight428.56 g/mol
Exact Mass428.20
IUPAC Name5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(NC3CCC(N)CC3)nc12
InChIInChI=1S/C21H28N6O2S/c1-3-14-13-23-27-20(25-17-8-10-18(11-9-17)30(2,28)29)12-19(26-21(14)27)24-16-6-4-15(22)5-7-16/h8-13,15-16,25H,3-7,22H2,1-2H3,(H,24,26)
InChIKeyOKEVAFPHKHLQLI-UHFFFAOYSA-N
XLogP3.12
TPSA114.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Cep-33779
CID 57336812
4-[5-(trans-4-Aminocyclohexylamino)-3-isopropylpyrazolo[1,5-A]pyrimidin-7-ylamino]-N,N-dimethylbenzenesulfonamide
CID 5287990
4-((5-(Cyclohexylamino)(1,2,4)triazolo(1,5-A)pyrimidin-7-YL)amino)benzenesulfonamide
CID 23586146
4-({5-[(4-Aminocyclohexyl)amino][1,2,4]triazolo[1,5-A]pyrimidin-7-YL}amino)benzenesulfonamide
CID 23645578
N-Methyl-(3-phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]-pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156628
N-Methyl-(3-phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
4-({5-[(4-aminocyclohexyl)amino]-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 9825189
5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 11284129
4-({5-[(4-aminocyclohexyl)amino]-3-bromopyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 11386640
5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 11488074

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 58938394) is 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is CCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(NC3CCC(N)CC3)nc12.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is OKEVAFPHKHLQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-3-14-13-23-27-20(25-17-8-10-18(11-9-17)30(2,28)29)12-19(26-21(14)27)24-16-6-4-15(22)5-7-16/h8-13,15-16,25H,3-7,22H2,1-2H3,(H,24,26).
What are the key properties of 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 428.56 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 58938394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).