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

C24H22F2N6O2 — CID 134551595

IUPACN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCOc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C24H22F2N6O2/c1-34-21-5-3-2-4-16(21)19-15-32-22(29-19)17(6-11-28-32)23(33)30-18-14-27-10-7-20(18)31-12-8-24(25,26)9-13-31/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,30,33)
InChIKeyNPBXBJGEHIIUSM-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.29
Rot. Bonds5

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

N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551595) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551595
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC NameN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCOc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C24H22F2N6O2/c1-34-21-5-3-2-4-16(21)19-15-32-22(29-19)17(6-11-28-32)23(33)30-18-14-27-10-7-20(18)31-12-8-24(25,26)9-13-31/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,30,33)
InChIKeyNPBXBJGEHIIUSM-UHFFFAOYSA-N
XLogP4.29
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551595) is N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide is COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCC(F)(F)CC3)c2n1.
What is the InChIKey of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is NPBXBJGEHIIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-34-21-5-3-2-4-16(21)19-15-32-22(29-19)17(6-11-28-32)23(33)30-18-14-27-10-7-20(18)31-12-8-24(25,26)9-13-31/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,30,33).
What are the key properties of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide?
N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).