8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione

C21H20ClF3N4O2 — CID 174223980

IUPAC8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione
SMILESCc1c(C(C)Nc2nn(C)c(=O)c3c(Cl)c(=O)n(C4CC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C21H20ClF3N4O2/c1-10-13(5-4-6-15(10)21(23,24)25)11(2)26-18-14-9-29(12-7-8-12)20(31)17(22)16(14)19(30)28(3)27-18/h4-6,9,11-12H,7-8H2,1-3H3,(H,26,27)
InChIKeyWFIGUSUULDOZOK-UHFFFAOYSA-N
MW452.86 g/mol
LogP4.58
Rot. Bonds4

About 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione

8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione (PubChem CID 174223980) has the molecular formula C21H20ClF3N4O2 and a molecular weight of 452.86 g/mol. Its IUPAC name is 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione.

Molecular Properties

Compound Name8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione
PubChem CID174223980
Molecular FormulaC21H20ClF3N4O2
Molecular Weight452.86 g/mol
Exact Mass452.12
IUPAC Name8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione
SMILESCc1c(C(C)Nc2nn(C)c(=O)c3c(Cl)c(=O)n(C4CC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C21H20ClF3N4O2/c1-10-13(5-4-6-15(10)21(23,24)25)11(2)26-18-14-9-29(12-7-8-12)20(31)17(22)16(14)19(30)28(3)27-18/h4-6,9,11-12H,7-8H2,1-3H3,(H,26,27)
InChIKeyWFIGUSUULDOZOK-UHFFFAOYSA-N
XLogP4.58
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-1,7-dioxopyrido[3,4-d]pyridazin-8-yl]pyrrolidine-1-carboxylate
CID 174223713
2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione
CID 175803390
6-cyclopropyl-2-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione
CID 174223913
2-methyl-6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione
CID 174223820
2-methyl-6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione
CID 166147452
6-(3-hydroxycyclobutyl)-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
CID 138750575
8-bromo-4-[1-[3-(difluoromethyl)-2-fluorophenyl]ethylamino]-6-[(3R,4R)-3-fluorooxan-4-yl]-2-methylpyrido[3,4-d]pyridazine-1,7-dione
CID 174223728
4-[[(1S)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-2-methyl-6-(oxan-4-yl)pyrido[3,4-d]pyridazine-1,7-dione
CID 170776048
2-methyl-6-(1-methylcyclopropyl)-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[4,3-d]pyrimidin-7-one;hydrochloride
CID 171340862
N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
CID 175949853
1,3,3,5-tetramethyl-8-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,3-g]phthalazin-2-one
CID 167310881
N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 170158881

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione?
The IUPAC name of 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione (CID 174223980) is 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione.
What is the SMILES notation for 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione?
The canonical SMILES for 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione is Cc1c(C(C)Nc2nn(C)c(=O)c3c(Cl)c(=O)n(C4CC4)cc23)cccc1C(F)(F)F.
What is the InChIKey of 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione?
The InChIKey is WFIGUSUULDOZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O2/c1-10-13(5-4-6-15(10)21(23,24)25)11(2)26-18-14-9-29(12-7-8-12)20(31)17(22)16(14)19(30)28(3)27-18/h4-6,9,11-12H,7-8H2,1-3H3,(H,26,27).
What are the key properties of 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione?
8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione has a molecular weight of 452.86 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione is sourced from PubChem (CID 174223980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).