[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

C19H24F2N6O — CID 155974609

IUPAC[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2ccc3nnc(C4CC4)n3n2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H24F2N6O/c20-19(21)7-11-26(12-8-19)18(28)14-5-9-25(10-6-14)16-4-3-15-22-23-17(13-1-2-13)27(15)24-16/h3-4,13-14H,1-2,5-12H2
InChIKeySYFLIPGOPRGYFH-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.48
Rot. Bonds3

About [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 155974609) has the molecular formula C19H24F2N6O and a molecular weight of 390.44 g/mol. Its IUPAC name is [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID155974609
Molecular FormulaC19H24F2N6O
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC Name[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2ccc3nnc(C4CC4)n3n2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H24F2N6O/c20-19(21)7-11-26(12-8-19)18(28)14-5-9-25(10-6-14)16-4-3-15-22-23-17(13-1-2-13)27(15)24-16/h3-4,13-14H,1-2,5-12H2
InChIKeySYFLIPGOPRGYFH-UHFFFAOYSA-N
XLogP2.48
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 47060299
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165434726
[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155975921
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanone
CID 46326774
[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 50783279
cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126912802
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2-phenylacetamide
CID 134802364
(2-chlorophenyl)-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134803166
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanone
CID 50783327

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 155974609) is [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCN(c2ccc3nnc(C4CC4)n3n2)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is SYFLIPGOPRGYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O/c20-19(21)7-11-26(12-8-19)18(28)14-5-9-25(10-6-14)16-4-3-15-22-23-17(13-1-2-13)27(15)24-16/h3-4,13-14H,1-2,5-12H2.
What are the key properties of [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 390.44 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 155974609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).