3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide

C26H22F2N4O2 — CID 46930726

IUPAC3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2(C)CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C26H22F2N4O2/c1-14-4-5-15(24(33)30-26(2)8-9-26)10-19(14)20-11-16-13-29-31-22(23(16)32(3)25(20)34)18-7-6-17(27)12-21(18)28/h4-7,10-13H,8-9H2,1-3H3,(H,30,33)
InChIKeyXWJXKEARDJSUHS-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.53
Rot. Bonds4

About 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide

3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide (PubChem CID 46930726) has the molecular formula C26H22F2N4O2 and a molecular weight of 460.48 g/mol. Its IUPAC name is 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
PubChem CID46930726
Molecular FormulaC26H22F2N4O2
Molecular Weight460.48 g/mol
Exact Mass460.17
IUPAC Name3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2(C)CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C26H22F2N4O2/c1-14-4-5-15(24(33)30-26(2)8-9-26)10-19(14)20-11-16-13-29-31-22(23(16)32(3)25(20)34)18-7-6-17(27)12-21(18)28/h4-7,10-13H,8-9H2,1-3H3,(H,30,33)
InChIKeyXWJXKEARDJSUHS-UHFFFAOYSA-N
XLogP4.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(1-(2-fluorophenyl)phthalazin-6-yl)-4-methylbenzamide
CID 11848506
8-(2,4-difluorophenyl)-3-(2,4-difluorophenylamino)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one
CID 46185428
CID 155557232
CID 155557232
N-cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido(3,2-d)pyridazin-3-yl)-4-methylbenzamide
CID 46182955
3-[8-(2,4-Difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide
CID 46182956
N-Cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-5-fluoro-4-methylbenzamide
CID 46182957
4-Chloro-N-cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)benzamide
CID 46182958
3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N,4-dimethylbenzamide
CID 46184147
8-(2,4-Difluorophenyl)-3-(4-fluorophenylamino)-1-methylpyrido-[3,2-d]pyridazin-2(1H)-one
CID 46185682
8-(2,4-Difluorophenyl)-3-[(2,4-difluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one
CID 46930633
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 118408862
N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296508

Frequently Asked Questions

What is the IUPAC name of 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide (CID 46930726) is 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide is Cc1ccc(C(=O)NC2(C)CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O.
What is the InChIKey of 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide?
The InChIKey is XWJXKEARDJSUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O2/c1-14-4-5-15(24(33)30-26(2)8-9-26)10-19(14)20-11-16-13-29-31-22(23(16)32(3)25(20)34)18-7-6-17(27)12-21(18)28/h4-7,10-13H,8-9H2,1-3H3,(H,30,33).
What are the key properties of 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide?
3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide has a molecular weight of 460.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 46930726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).