2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

C19H22N6OS — CID 126925593

IUPAC2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESCc1cc(N2CCCC2Cn2nc3c(cc2=O)CSCC3)n2nccc2n1
InChIInChI=1S/C19H22N6OS/c1-13-9-18(25-17(21-13)4-6-20-25)23-7-2-3-15(23)11-24-19(26)10-14-12-27-8-5-16(14)22-24/h4,6,9-10,15H,2-3,5,7-8,11-12H2,1H3
InChIKeyBYDGCUDRXCMZKE-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.05
Rot. Bonds3

About 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126925593) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126925593
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESCc1cc(N2CCCC2Cn2nc3c(cc2=O)CSCC3)n2nccc2n1
InChIInChI=1S/C19H22N6OS/c1-13-9-18(25-17(21-13)4-6-20-25)23-7-2-3-15(23)11-24-19(26)10-14-12-27-8-5-16(14)22-24/h4,6,9-10,15H,2-3,5,7-8,11-12H2,1H3
InChIKeyBYDGCUDRXCMZKE-UHFFFAOYSA-N
XLogP2.05
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925353
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929230
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923368
2-[[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925365
2-[[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925558
2-[(1-methylpyrrolidin-2-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925583
2-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925367
2-[[1-(6-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925599
2-[[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925591
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925412
2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925541
2-[(1-cyclopentylpyrrolidin-2-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925370

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126925593) is 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is Cc1cc(N2CCCC2Cn2nc3c(cc2=O)CSCC3)n2nccc2n1.
What is the InChIKey of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is BYDGCUDRXCMZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-13-9-18(25-17(21-13)4-6-20-25)23-7-2-3-15(23)11-24-19(26)10-14-12-27-8-5-16(14)22-24/h4,6,9-10,15H,2-3,5,7-8,11-12H2,1H3.
What are the key properties of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one has a molecular weight of 382.49 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126925593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).