6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C20H23FN6O — CID 171353879

IUPAC6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(NCc4cccc(F)c4)nn23)CC1
InChIInChI=1S/C20H23FN6O/c1-26-9-7-16(8-10-26)24-20(28)17-13-23-19-6-5-18(25-27(17)19)22-12-14-3-2-4-15(21)11-14/h2-6,11,13,16H,7-10,12H2,1H3,(H,22,25)(H,24,28)
InChIKeyBXOXOJTYGWMAHB-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.30
Rot. Bonds5

About 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 171353879) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID171353879
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(NCc4cccc(F)c4)nn23)CC1
InChIInChI=1S/C20H23FN6O/c1-26-9-7-16(8-10-26)24-20(28)17-13-23-19-6-5-18(25-27(17)19)22-12-14-3-2-4-15(21)11-14/h2-6,11,13,16H,7-10,12H2,1H3,(H,22,25)(H,24,28)
InChIKeyBXOXOJTYGWMAHB-UHFFFAOYSA-N
XLogP2.30
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 171353879) is 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide is CN1CCC(NC(=O)c2cnc3ccc(NCc4cccc(F)c4)nn23)CC1.
What is the InChIKey of 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is BXOXOJTYGWMAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-26-9-7-16(8-10-26)24-20(28)17-13-23-19-6-5-18(25-27(17)19)22-12-14-3-2-4-15(21)11-14/h2-6,11,13,16H,7-10,12H2,1H3,(H,22,25)(H,24,28).
What are the key properties of 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 171353879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).