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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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).