5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C18H27N5S — CID 56902534

IUPAC5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CCN(C3CCSCC3)CC2)n2nccc2n1
InChIInChI=1S/C18H27N5S/c1-14(2)16-13-18(23-17(20-16)3-6-19-23)22-9-7-21(8-10-22)15-4-11-24-12-5-15/h3,6,13-15H,4-5,7-12H2,1-2H3
InChIKeyDNNPKMCWJBCJGR-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.87
Rot. Bonds3

About 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 56902534) has the molecular formula C18H27N5S and a molecular weight of 345.52 g/mol. Its IUPAC name is 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID56902534
Molecular FormulaC18H27N5S
Molecular Weight345.52 g/mol
Exact Mass345.20
IUPAC Name5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CCN(C3CCSCC3)CC2)n2nccc2n1
InChIInChI=1S/C18H27N5S/c1-14(2)16-13-18(23-17(20-16)3-6-19-23)22-9-7-21(8-10-22)15-4-11-24-12-5-15/h3,6,13-15H,4-5,7-12H2,1-2H3
InChIKeyDNNPKMCWJBCJGR-UHFFFAOYSA-N
XLogP2.87
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine 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-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 56902534) is 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is CC(C)c1cc(N2CCN(C3CCSCC3)CC2)n2nccc2n1.
What is the InChIKey of 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DNNPKMCWJBCJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5S/c1-14(2)16-13-18(23-17(20-16)3-6-19-23)22-9-7-21(8-10-22)15-4-11-24-12-5-15/h3,6,13-15H,4-5,7-12H2,1-2H3.
What are the key properties of 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 345.52 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56902534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).