2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

C17H11F2N9O — CID 162722076

IUPAC2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4cnc5cccnn45)nn3)nc2)o1
InChIInChI=1S/C17H11F2N9O/c18-15(19)17-25-24-16(29-17)10-3-4-11(20-6-10)8-27-9-12(23-26-27)13-7-21-14-2-1-5-22-28(13)14/h1-7,9,15H,8H2
InChIKeyIPAOJOVMCGIDET-UHFFFAOYSA-N
MW395.33 g/mol
LogP2.42
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162722076) has the molecular formula C17H11F2N9O and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162722076
Molecular FormulaC17H11F2N9O
Molecular Weight395.33 g/mol
Exact Mass395.11
IUPAC Name2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4cnc5cccnn45)nn3)nc2)o1
InChIInChI=1S/C17H11F2N9O/c18-15(19)17-25-24-16(29-17)10-3-4-11(20-6-10)8-27-9-12(23-26-27)13-7-21-14-2-1-5-22-28(13)14/h1-7,9,15H,8H2
InChIKeyIPAOJOVMCGIDET-UHFFFAOYSA-N
XLogP2.42
TPSA112.71 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

Bms-645737
CID 22273644
N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22273633
6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44449577
3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
CID 118288357
N-methyl-5-[4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3,4-oxadiazol-2-amine
CID 44449479
N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44449484
6-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44449507
2-[1-(Oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145966243
2-[1-(3-Methoxypropyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145968234
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 164618790
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-1-methyl-1H-benzo[d]imidazol-2-amine
CID 162721925

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162722076) is 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3cc(-c4cnc5cccnn45)nn3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is IPAOJOVMCGIDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N9O/c18-15(19)17-25-24-16(29-17)10-3-4-11(20-6-10)8-27-9-12(23-26-27)13-7-21-14-2-1-5-22-28(13)14/h1-7,9,15H,8H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 395.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).