N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide

C22H35F3N4O2 — CID 171493251

IUPACN-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide
SMILESCCCCC(C)N(C(=O)CCNC1CCc2c1n[nH]c(=O)c2C(F)(F)F)C(CC)CC
InChIInChI=1S/C22H35F3N4O2/c1-5-8-9-14(4)29(15(6-2)7-3)18(30)12-13-26-17-11-10-16-19(22(23,24)25)21(31)28-27-20(16)17/h14-15,17,26H,5-13H2,1-4H3,(H,28,31)
InChIKeyMFTKMUWWTXNTKI-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.35
Rot. Bonds11

About N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide

N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide (PubChem CID 171493251) has the molecular formula C22H35F3N4O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound NameN-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide
PubChem CID171493251
Molecular FormulaC22H35F3N4O2
Molecular Weight444.54 g/mol
Exact Mass444.27
IUPAC NameN-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide
SMILESCCCCC(C)N(C(=O)CCNC1CCc2c1n[nH]c(=O)c2C(F)(F)F)C(CC)CC
InChIInChI=1S/C22H35F3N4O2/c1-5-8-9-14(4)29(15(6-2)7-3)18(30)12-13-26-17-11-10-16-19(22(23,24)25)21(31)28-27-20(16)17/h14-15,17,26H,5-13H2,1-4H3,(H,28,31)
InChIKeyMFTKMUWWTXNTKI-UHFFFAOYSA-N
XLogP4.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide with MolForge

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Related Compounds

Ethane;7-[ethyl-[3-[ethyl(pentyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171492768
N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide
CID 171492779
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N'-pentyl-N'-propylpropanediamide;(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492818
3-[[4-(2-fluoropropan-2-yl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-methylamino]-N-pentyl-N-propylpropanamide
CID 171492873
N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;1-cyclopropylethanone
CID 171492877
1-cyclopropylethanone;3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide
CID 171492974
N-butyl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;1-cyclopropylethanone
CID 171492977
7-(Methylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493031
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
CID 171493050
(2R)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
CID 171493060
7-(3-acetyl-3-methylazetidin-1-yl)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;3-methyl-N-propylbutan-1-amine
CID 171493120
N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane
CID 171493191

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide?
The IUPAC name of N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide (CID 171493251) is N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide is CCCCC(C)N(C(=O)CCNC1CCc2c1n[nH]c(=O)c2C(F)(F)F)C(CC)CC.
What is the InChIKey of N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide?
The InChIKey is MFTKMUWWTXNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F3N4O2/c1-5-8-9-14(4)29(15(6-2)7-3)18(30)12-13-26-17-11-10-16-19(22(23,24)25)21(31)28-27-20(16)17/h14-15,17,26H,5-13H2,1-4H3,(H,28,31).
What are the key properties of N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide?
N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide has a molecular weight of 444.54 g/mol, XLogP of 4.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 171493251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).