3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide

C18H24N6O2S — CID 166601080

IUPAC3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
SMILESCC(C)c1nccc(N2CCN(c3cc4c(nn3)CCS(=O)(=O)C4)CC2)n1
InChIInChI=1S/C18H24N6O2S/c1-13(2)18-19-5-3-16(20-18)23-6-8-24(9-7-23)17-11-14-12-27(25,26)10-4-15(14)21-22-17/h3,5,11,13H,4,6-10,12H2,1-2H3
InChIKeyPKSCENFGJGNWTH-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.19
Rot. Bonds3

About 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide

3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide (PubChem CID 166601080) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide.

Molecular Properties

Compound Name3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
PubChem CID166601080
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
SMILESCC(C)c1nccc(N2CCN(c3cc4c(nn3)CCS(=O)(=O)C4)CC2)n1
InChIInChI=1S/C18H24N6O2S/c1-13(2)18-19-5-3-16(20-18)23-6-8-24(9-7-23)17-11-14-12-27(25,26)10-4-15(14)21-22-17/h3,5,11,13H,4,6-10,12H2,1-2H3
InChIKeyPKSCENFGJGNWTH-UHFFFAOYSA-N
XLogP1.19
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide with MolForge

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Launch Full Analysis

Related Compounds

3-(4-quinazolin-6-ylpiperazin-1-yl)-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
CID 126894579
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
CID 166601245
N-[1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889915
2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136519236
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 167781320
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133487059
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887829
5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 163343960
4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 154828952

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide?
The IUPAC name of 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide (CID 166601080) is 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide.
What is the SMILES notation for 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide?
The canonical SMILES for 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide is CC(C)c1nccc(N2CCN(c3cc4c(nn3)CCS(=O)(=O)C4)CC2)n1.
What is the InChIKey of 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide?
The InChIKey is PKSCENFGJGNWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-13(2)18-19-5-3-16(20-18)23-6-8-24(9-7-23)17-11-14-12-27(25,26)10-4-15(14)21-22-17/h3,5,11,13H,4,6-10,12H2,1-2H3.
What are the key properties of 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide?
3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide has a molecular weight of 388.50 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide is sourced from PubChem (CID 166601080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).