5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C24H25N5O3S — CID 67497376

IUPAC5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C24H25N5O3S/c1-32-15-20-22(17-9-11-33(30,31)12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,15,25H2,1H3
InChIKeyUOPITSXLTAQNNA-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.48
Rot. Bonds5

About 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 67497376) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID67497376
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C24H25N5O3S/c1-32-15-20-22(17-9-11-33(30,31)12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,15,25H2,1H3
InChIKeyUOPITSXLTAQNNA-UHFFFAOYSA-N
XLogP3.48
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 67497376) is 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UOPITSXLTAQNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-32-15-20-22(17-9-11-33(30,31)12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,15,25H2,1H3.
What are the key properties of 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 463.56 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 67497376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).