2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

C20H25N7OS — CID 126915300

IUPAC2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESCc1cc2c(N3CCN(CCn4nc5c(cc4=O)CSCC5)CC3)nccn2n1
InChIInChI=1S/C20H25N7OS/c1-15-12-18-20(21-3-4-26(18)22-15)25-8-5-24(6-9-25)7-10-27-19(28)13-16-14-29-11-2-17(16)23-27/h3-4,12-13H,2,5-11,14H2,1H3
InChIKeyBSZQAEYXORWEPI-UHFFFAOYSA-N
MW411.54 g/mol
LogP1.21
Rot. Bonds4

About 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126915300) has the molecular formula C20H25N7OS and a molecular weight of 411.54 g/mol. Its IUPAC name is 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126915300
Molecular FormulaC20H25N7OS
Molecular Weight411.54 g/mol
Exact Mass411.18
IUPAC Name2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESCc1cc2c(N3CCN(CCn4nc5c(cc4=O)CSCC5)CC3)nccn2n1
InChIInChI=1S/C20H25N7OS/c1-15-12-18-20(21-3-4-26(18)22-15)25-8-5-24(6-9-25)7-10-27-19(28)13-16-14-29-11-2-17(16)23-27/h3-4,12-13H,2,5-11,14H2,1H3
InChIKeyBSZQAEYXORWEPI-UHFFFAOYSA-N
XLogP1.21
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915439
2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915278
2-[2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915434
2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915476
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047
2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915379
2-[2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915217
2-[2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915185
2-[2-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915341
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 133487949
2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914734
2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133488828

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126915300) is 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is Cc1cc2c(N3CCN(CCn4nc5c(cc4=O)CSCC5)CC3)nccn2n1.
What is the InChIKey of 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is BSZQAEYXORWEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7OS/c1-15-12-18-20(21-3-4-26(18)22-15)25-8-5-24(6-9-25)7-10-27-19(28)13-16-14-29-11-2-17(16)23-27/h3-4,12-13H,2,5-11,14H2,1H3.
What are the key properties of 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one has a molecular weight of 411.54 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126915300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).