N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

C20H24N6O2 — CID 133294308

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c(C)o1
InChIInChI=1S/C20H24N6O2/c1-12-11-16(13(2)28-12)20(27)21-15-7-9-25(10-8-15)18-6-5-17-22-23-19(14-3-4-14)26(17)24-18/h5-6,11,14-15H,3-4,7-10H2,1-2H3,(H,21,27)
InChIKeyPFQZJERQBDEKSP-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 133294308) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID133294308
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c(C)o1
InChIInChI=1S/C20H24N6O2/c1-12-11-16(13(2)28-12)20(27)21-15-7-9-25(10-8-15)18-6-5-17-22-23-19(14-3-4-14)26(17)24-18/h5-6,11,14-15H,3-4,7-10H2,1-2H3,(H,21,27)
InChIKeyPFQZJERQBDEKSP-UHFFFAOYSA-N
XLogP2.61
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 134802149
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
CID 126922104
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2-phenylacetamide
CID 134802364
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide
CID 134801628
N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133287159
4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134801544
4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134803479
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133361200
N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 154785288
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 171714416

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 133294308) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c(C)o1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PFQZJERQBDEKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-11-16(13(2)28-12)20(27)21-15-7-9-25(10-8-15)18-6-5-17-22-23-19(14-3-4-14)26(17)24-18/h5-6,11,14-15H,3-4,7-10H2,1-2H3,(H,21,27).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 133294308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).