[3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone

C18H23F2N5O2 — CID 166372445

IUPAC[3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone
SMILESCOC1(C(F)F)CC(C(=O)N2CCC(c3ccc4nnc(C)n4n3)CC2)C1
InChIInChI=1S/C18H23F2N5O2/c1-11-21-22-15-4-3-14(23-25(11)15)12-5-7-24(8-6-12)16(26)13-9-18(10-13,27-2)17(19)20/h3-4,12-13,17H,5-10H2,1-2H3
InChIKeyGPIMUBFVPNOHLR-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.20
Rot. Bonds4

About [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone

[3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone (PubChem CID 166372445) has the molecular formula C18H23F2N5O2 and a molecular weight of 379.41 g/mol. Its IUPAC name is [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone
PubChem CID166372445
Molecular FormulaC18H23F2N5O2
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC Name[3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone
SMILESCOC1(C(F)F)CC(C(=O)N2CCC(c3ccc4nnc(C)n4n3)CC2)C1
InChIInChI=1S/C18H23F2N5O2/c1-11-21-22-15-4-3-14(23-25(11)15)12-5-7-24(8-6-12)16(26)13-9-18(10-13,27-2)17(19)20/h3-4,12-13,17H,5-10H2,1-2H3
InChIKeyGPIMUBFVPNOHLR-UHFFFAOYSA-N
XLogP2.20
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 126910916
6-[1-[[3-(difluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 166308636
cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126911479
3-[4-[[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methyl]phenyl]cyclobutan-1-one
CID 166308635
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910926
[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46326690
(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 163358243
[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 126912586
5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126910918
(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone
CID 146079211
6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 138663454

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone (CID 166372445) is [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone is COC1(C(F)F)CC(C(=O)N2CCC(c3ccc4nnc(C)n4n3)CC2)C1.
What is the InChIKey of [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone?
The InChIKey is GPIMUBFVPNOHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2/c1-11-21-22-15-4-3-14(23-25(11)15)12-5-7-24(8-6-12)16(26)13-9-18(10-13,27-2)17(19)20/h3-4,12-13,17H,5-10H2,1-2H3.
What are the key properties of [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone?
[3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone has a molecular weight of 379.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-3-methoxycyclobutyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 166372445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).