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

C19H23BrN6O2S — CID 58938417

IUPAC5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCS(=O)(=O)c1ccc(Nc2cc(NC3CCC(N)CC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H23BrN6O2S/c1-29(27,28)15-8-6-14(7-9-15)24-18-10-17(23-13-4-2-12(21)3-5-13)25-19-16(20)11-22-26(18)19/h6-13,24H,2-5,21H2,1H3,(H,23,25)
InChIKeyQCFCJNJWUDIGIB-UHFFFAOYSA-N
MW479.40 g/mol
LogP3.32
Rot. Bonds5

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

5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 58938417) has the molecular formula C19H23BrN6O2S and a molecular weight of 479.40 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID58938417
Molecular FormulaC19H23BrN6O2S
Molecular Weight479.40 g/mol
Exact Mass478.08
IUPAC Name5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCS(=O)(=O)c1ccc(Nc2cc(NC3CCC(N)CC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H23BrN6O2S/c1-29(27,28)15-8-6-14(7-9-15)24-18-10-17(23-13-4-2-12(21)3-5-13)25-19-16(20)11-22-26(18)19/h6-13,24H,2-5,21H2,1H3,(H,23,25)
InChIKeyQCFCJNJWUDIGIB-UHFFFAOYSA-N
XLogP3.32
TPSA114.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
4-({5-[(4-aminocyclohexyl)amino]-3-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 23645566
4-({5-[(4-aminocyclohexyl)amino]-3-chloropyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 23645567
4-[(5-{[4-(ethylamino)cyclohexyl]amino}-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzene-1-sulfonamide
CID 23645568
4-[(5-{[4-(diethylamino)cyclohexyl]amino}-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzene-1-sulfonamide
CID 23645569
4-({5-[(4-aminocyclohexyl)amino]-3-bromopyrazolo[1,5-a]pyrimidin-7-yl}amino)-2-chloro-N,N-dimethylbenzene-1-sulfonamide
CID 23645574

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 58938417) is 5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is CS(=O)(=O)c1ccc(Nc2cc(NC3CCC(N)CC3)nc3c(Br)cnn23)cc1.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is QCFCJNJWUDIGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN6O2S/c1-29(27,28)15-8-6-14(7-9-15)24-18-10-17(23-13-4-2-12(21)3-5-13)25-19-16(20)11-22-26(18)19/h6-13,24H,2-5,21H2,1H3,(H,23,25).
What are the key properties of 5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-3-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 479.40 g/mol, XLogP of 3.32, 5 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-bromo-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 58938417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).