ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate

C20H21FN4O2 — CID 66684898

IUPACethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCCCC3c3cccc(F)c3)nn12
InChIInChI=1S/C20H21FN4O2/c1-2-27-20(26)17-13-22-18-9-10-19(23-25(17)18)24-11-4-3-8-16(24)14-6-5-7-15(21)12-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3
InChIKeyLOAZABUFNVUIKB-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.78
Rot. Bonds4

About ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate

ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 66684898) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID66684898
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Nameethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCCCC3c3cccc(F)c3)nn12
InChIInChI=1S/C20H21FN4O2/c1-2-27-20(26)17-13-22-18-9-10-19(23-25(17)18)24-11-4-3-8-16(24)14-6-5-7-15(21)12-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3
InChIKeyLOAZABUFNVUIKB-UHFFFAOYSA-N
XLogP3.78
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
ethyl 6-[2,2,3,3,4,4-hexadeuterio-5-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 87106029
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
CID 86663106
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-b]pyridazine-3-carboxamide
CID 87106081
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 56940863
N-(2,2-difluoroethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941155
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 163760831
3-(3-fluorophenyl)-1-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]prop-2-en-1-one
CID 66684657
N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166720707
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide
CID 77178143
N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide
CID 66685123

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate (CID 66684898) is ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnc2ccc(N3CCCCC3c3cccc(F)c3)nn12.
What is the InChIKey of ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is LOAZABUFNVUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-2-27-20(26)17-13-22-18-9-10-19(23-25(17)18)24-11-4-3-8-16(24)14-6-5-7-15(21)12-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3.
What are the key properties of ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 66684898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).