N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

C23H21FN6O — CID 134551552

IUPACN-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)CC1)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C23H21FN6O/c24-17-8-12-29(13-9-17)21-7-10-25-14-19(21)28-23(31)18-6-11-26-30-15-20(27-22(18)30)16-4-2-1-3-5-16/h1-7,10-11,14-15,17H,8-9,12-13H2,(H,28,31)
InChIKeyNXMNKSKXYYCWRN-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.98
Rot. Bonds4

About N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551552) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551552
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC NameN-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)CC1)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C23H21FN6O/c24-17-8-12-29(13-9-17)21-7-10-25-14-19(21)28-23(31)18-6-11-26-30-15-20(27-22(18)30)16-4-2-1-3-5-16/h1-7,10-11,14-15,17H,8-9,12-13H2,(H,28,31)
InChIKeyNXMNKSKXYYCWRN-UHFFFAOYSA-N
XLogP3.98
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (CID 134551552) is N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1N1CCC(F)CC1)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is NXMNKSKXYYCWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c24-17-8-12-29(13-9-17)21-7-10-25-14-19(21)28-23(31)18-6-11-26-30-15-20(27-22(18)30)16-4-2-1-3-5-16/h1-7,10-11,14-15,17H,8-9,12-13H2,(H,28,31).
What are the key properties of N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).