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

C23H20F2N6O — CID 134551927

IUPACN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C23H20F2N6O/c24-23(25)8-12-30(13-9-23)20-7-10-26-14-18(20)29-22(32)17-6-11-27-31-15-19(28-21(17)31)16-4-2-1-3-5-16/h1-7,10-11,14-15H,8-9,12-13H2,(H,29,32)
InChIKeyFHAJBKJRGWQUEK-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.28
Rot. Bonds4

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

N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551927) has the molecular formula C23H20F2N6O and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551927
Molecular FormulaC23H20F2N6O
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC NameN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C23H20F2N6O/c24-23(25)8-12-30(13-9-23)20-7-10-26-14-18(20)29-22(32)17-6-11-27-31-15-19(28-21(17)31)16-4-2-1-3-5-16/h1-7,10-11,14-15H,8-9,12-13H2,(H,29,32)
InChIKeyFHAJBKJRGWQUEK-UHFFFAOYSA-N
XLogP4.28
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (CID 134551927) is N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is FHAJBKJRGWQUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O/c24-23(25)8-12-30(13-9-23)20-7-10-26-14-18(20)29-22(32)17-6-11-27-31-15-19(28-21(17)31)16-4-2-1-3-5-16/h1-7,10-11,14-15H,8-9,12-13H2,(H,29,32).
What are the key properties of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).