3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one

C21H21F2N3O — CID 58514576

IUPAC3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(CC2CCCCC2)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C21H21F2N3O/c1-26-20-15(10-14(21(26)27)9-13-5-3-2-4-6-13)12-24-25-19(20)17-8-7-16(22)11-18(17)23/h7-8,10-13H,2-6,9H2,1H3
InChIKeyZSGJHPNAKUEMSP-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.40
Rot. Bonds3

About 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one

3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one (PubChem CID 58514576) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
PubChem CID58514576
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(CC2CCCCC2)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C21H21F2N3O/c1-26-20-15(10-14(21(26)27)9-13-5-3-2-4-6-13)12-24-25-19(20)17-8-7-16(22)11-18(17)23/h7-8,10-13H,2-6,9H2,1H3
InChIKeyZSGJHPNAKUEMSP-UHFFFAOYSA-N
XLogP4.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
CID 46930537
8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one
CID 67004197
1-(2,4-difluorophenyl)phthalazine
CID 175330738
2-(cyclohexylmethylsulfanyl)-3-(2,4-difluorophenyl)quinazolin-4-one
CID 7845486
3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine
CID 135002722
8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887613
7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157044809
8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one
CID 70901480
5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 114859800
N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
CID 25016855
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
CID 83261542
5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline
CID 105479559

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one (CID 58514576) is 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one is Cn1c(=O)c(CC2CCCCC2)cc2cnnc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The InChIKey is ZSGJHPNAKUEMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-26-20-15(10-14(21(26)27)9-13-5-3-2-4-6-13)12-24-25-19(20)17-8-7-16(22)11-18(17)23/h7-8,10-13H,2-6,9H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one has a molecular weight of 369.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 58514576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).