5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

C26H19F2N5O — CID 160683858

IUPAC5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccnn4c(-c5cccc(F)c5F)ncc34)cnc2C)cc1
InChIInChI=1S/C26H19F2N5O/c1-15-6-8-18(9-7-15)32-26(34)21-12-17(13-29-16(21)2)19-10-11-31-33-23(19)14-30-25(33)20-4-3-5-22(27)24(20)28/h3-14H,1-2H3,(H,32,34)
InChIKeyROMPNNFADVDXGJ-UHFFFAOYSA-N
MW455.47 g/mol
LogP5.61
Rot. Bonds4

About 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 160683858) has the molecular formula C26H19F2N5O and a molecular weight of 455.47 g/mol. Its IUPAC name is 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID160683858
Molecular FormulaC26H19F2N5O
Molecular Weight455.47 g/mol
Exact Mass455.16
IUPAC Name5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccnn4c(-c5cccc(F)c5F)ncc34)cnc2C)cc1
InChIInChI=1S/C26H19F2N5O/c1-15-6-8-18(9-7-15)32-26(34)21-12-17(13-29-16(21)2)19-10-11-31-33-23(19)14-30-25(33)20-4-3-5-22(27)24(20)28/h3-14H,1-2H3,(H,32,34)
InChIKeyROMPNNFADVDXGJ-UHFFFAOYSA-N
XLogP5.61
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2-chloro-3-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(3-chloro-2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;2-cyclopropyl-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-dichlorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 159983729
5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide
CID 159956422
5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-(1-fluoroethoxy)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide)
CID 160695680
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 146306789
5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-methylpyridine-4-carboxamide
CID 162512236
2-(azetidin-1-yl)-5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 138736054
2,5-dimethyl-N-phenylpyridine-3-carboxamide
CID 160655593
5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 159838768
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
7-(3-methylphenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24712200
N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212946

Frequently Asked Questions

What is the IUPAC name of 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (CID 160683858) is 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccnn4c(-c5cccc(F)c5F)ncc34)cnc2C)cc1.
What is the InChIKey of 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is ROMPNNFADVDXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O/c1-15-6-8-18(9-7-15)32-26(34)21-12-17(13-29-16(21)2)19-10-11-31-33-23(19)14-30-25(33)20-4-3-5-22(27)24(20)28/h3-14H,1-2H3,(H,32,34).
What are the key properties of 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 160683858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).