N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide

C28H28F6N4O2 — CID 177327749

IUPACN-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide
SMILESCc1cccc(F)c1C1CCC(c2cc(C(=O)N(C)CC(F)F)nn(Cc3ncccc3C(F)(F)F)c2=O)CC1
InChIInChI=1S/C28H28F6N4O2/c1-16-5-3-7-21(29)25(16)18-10-8-17(9-11-18)19-13-22(27(40)37(2)15-24(30)31)36-38(26(19)39)14-23-20(28(32,33)34)6-4-12-35-23/h3-7,12-13,17-18,24H,8-11,14-15H2,1-2H3
InChIKeyDRJVWPVLOZQHKE-UHFFFAOYSA-N
MW566.55 g/mol
LogP5.93
Rot. Bonds7

About N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide

N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide (PubChem CID 177327749) has the molecular formula C28H28F6N4O2 and a molecular weight of 566.55 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide
PubChem CID177327749
Molecular FormulaC28H28F6N4O2
Molecular Weight566.55 g/mol
Exact Mass566.21
IUPAC NameN-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide
SMILESCc1cccc(F)c1C1CCC(c2cc(C(=O)N(C)CC(F)F)nn(Cc3ncccc3C(F)(F)F)c2=O)CC1
InChIInChI=1S/C28H28F6N4O2/c1-16-5-3-7-21(29)25(16)18-10-8-17(9-11-18)19-13-22(27(40)37(2)15-24(30)31)36-38(26(19)39)14-23-20(28(32,33)34)6-4-12-35-23/h3-7,12-13,17-18,24H,8-11,14-15H2,1-2H3
InChIKeyDRJVWPVLOZQHKE-UHFFFAOYSA-N
XLogP5.93
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.55
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327529
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-pyrimidin-4-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327586
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-[6-(trifluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327968
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177328279
5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile
CID 177327962
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177328175
3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174279647
2-cyclohexyl-1-fluoro-3-methylbenzene;6-(3,3-difluoropropoxy)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177328173
6-[(Z)-1-amino-2-[amino(methyl)amino]-3,3,3-trifluoroprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327541
7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174278788
6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene
CID 177328011
1-[[3-(1,1-difluoroethyl)-2-pyridinyl]methyl]-3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1,8-naphthyridin-2-one
CID 174279237

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide (CID 177327749) is N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide is Cc1cccc(F)c1C1CCC(c2cc(C(=O)N(C)CC(F)F)nn(Cc3ncccc3C(F)(F)F)c2=O)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide?
The InChIKey is DRJVWPVLOZQHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F6N4O2/c1-16-5-3-7-21(29)25(16)18-10-8-17(9-11-18)19-13-22(27(40)37(2)15-24(30)31)36-38(26(19)39)14-23-20(28(32,33)34)6-4-12-35-23/h3-7,12-13,17-18,24H,8-11,14-15H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide?
N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide has a molecular weight of 566.55 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 177327749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).