5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C22H28N4O3S — CID 58938308

IUPAC5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(OC3CCCCC3)nc12
InChIInChI=1S/C22H28N4O3S/c1-15(2)19-14-23-26-20(24-16-9-11-18(12-10-16)30(3,27)28)13-21(25-22(19)26)29-17-7-5-4-6-8-17/h9-15,17,24H,4-8H2,1-3H3
InChIKeyKOELVNVEWMPPOC-UHFFFAOYSA-N
MW428.56 g/mol
LogP4.71
Rot. Bonds6

About 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58938308) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58938308
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(OC3CCCCC3)nc12
InChIInChI=1S/C22H28N4O3S/c1-15(2)19-14-23-26-20(24-16-9-11-18(12-10-16)30(3,27)28)13-21(25-22(19)26)29-17-7-5-4-6-8-17/h9-15,17,24H,4-8H2,1-3H3
InChIKeyKOELVNVEWMPPOC-UHFFFAOYSA-N
XLogP4.71
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23645575
5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine
CID 58938304
4-[[3-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58938429
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 58938394
5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142946922
3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10046634
3-bromo-N-(4-methylsulfonylphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 10026764
4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol
CID 158573290
N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58938347
(5R)-5-[7-[(3-dimethylphosphorylphenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxy-2,2-dimethylpiperidine-1-carboxylic acid
CID 170358082
3-cyclobutyl-N-(3-fluoro-5-methylphenyl)-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine
CID 155104215
4-[[5-[(4-aminocyclohexyl)amino]-3-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58938326

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 58938308) is 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(OC3CCCCC3)nc12.
What is the InChIKey of 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KOELVNVEWMPPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-15(2)19-14-23-26-20(24-16-9-11-18(12-10-16)30(3,27)28)13-21(25-22(19)26)29-17-7-5-4-6-8-17/h9-15,17,24H,4-8H2,1-3H3.
What are the key properties of 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 428.56 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58938308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).