2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane

C20H23F2N7O2S — CID 139359551

IUPAC2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CCN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)C2)CC1
InChIInChI=1S/C20H23F2N7O2S/c1-32(30,31)28-8-5-20(6-9-28)4-7-27(12-20)18-10-15(24-13-25-18)16-11-23-17-3-2-14(19(21)22)26-29(16)17/h2-3,10-11,13,19H,4-9,12H2,1H3
InChIKeyPPFOVISMNWMPDU-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.38
Rot. Bonds4

About 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane

2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 139359551) has the molecular formula C20H23F2N7O2S and a molecular weight of 463.51 g/mol. Its IUPAC name is 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID139359551
Molecular FormulaC20H23F2N7O2S
Molecular Weight463.51 g/mol
Exact Mass463.16
IUPAC Name2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CCN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)C2)CC1
InChIInChI=1S/C20H23F2N7O2S/c1-32(30,31)28-8-5-20(6-9-28)4-7-27(12-20)18-10-15(24-13-25-18)16-11-23-17-3-2-14(19(21)22)26-29(16)17/h2-3,10-11,13,19H,4-9,12H2,1H3
InChIKeyPPFOVISMNWMPDU-UHFFFAOYSA-N
XLogP2.38
TPSA96.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-yl]methanesulfonamide
CID 139359326
3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine
CID 139357686
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide
CID 139359428
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine
CID 139358249
3-[6-(2,8-diazaspiro[3.5]nonan-2-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine
CID 139343571
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 139359352
tert-butyl 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 139343732
4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylsulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 139359421
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 153418464
N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343828
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpyrrolidin-3-yl]methyl]methanesulfonamide
CID 139358279
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
CID 139359615

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 139359551) is 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC2(CCN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)C2)CC1.
What is the InChIKey of 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is PPFOVISMNWMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O2S/c1-32(30,31)28-8-5-20(6-9-28)4-7-27(12-20)18-10-15(24-13-25-18)16-11-23-17-3-2-14(19(21)22)26-29(16)17/h2-3,10-11,13,19H,4-9,12H2,1H3.
What are the key properties of 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 463.51 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 139359551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).