6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane

C18H22F2N4S — CID 118744575

IUPAC6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(N2CCC3(CN(Cc4cccs4)CCC3(F)F)C2)nn1
InChIInChI=1S/C18H22F2N4S/c1-14-4-5-16(22-21-14)24-9-6-17(13-24)12-23(8-7-18(17,19)20)11-15-3-2-10-25-15/h2-5,10H,6-9,11-13H2,1H3
InChIKeyKQGCVNPYZKDXMZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.58
Rot. Bonds3

About 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane

6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 118744575) has the molecular formula C18H22F2N4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID118744575
Molecular FormulaC18H22F2N4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(N2CCC3(CN(Cc4cccs4)CCC3(F)F)C2)nn1
InChIInChI=1S/C18H22F2N4S/c1-14-4-5-16(22-21-14)24-9-6-17(13-24)12-23(8-7-18(17,19)20)11-15-3-2-10-25-15/h2-5,10H,6-9,11-13H2,1H3
InChIKeyKQGCVNPYZKDXMZ-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 118744575) is 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane is Cc1ccc(N2CCC3(CN(Cc4cccs4)CCC3(F)F)C2)nn1.
What is the InChIKey of 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is KQGCVNPYZKDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4S/c1-14-4-5-16(22-21-14)24-9-6-17(13-24)12-23(8-7-18(17,19)20)11-15-3-2-10-25-15/h2-5,10H,6-9,11-13H2,1H3.
What are the key properties of 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 364.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118744575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).