2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C23H28FN5O2 — CID 170078216

IUPAC2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCC/C=c1\c(C(C)C)nn(CC(=O)Nc2ncc(F)cn2)c(=O)\c1=C\C=C(/C)C1CC1
InChIInChI=1S/C23H28FN5O2/c1-5-6-18-19(10-7-15(4)16-8-9-16)22(31)29(28-21(18)14(2)3)13-20(30)27-23-25-11-17(24)12-26-23/h6-7,10-12,14,16H,5,8-9,13H2,1-4H3,(H,25,26,27,30)/b15-7+,18-6-,19-10+
InChIKeyGIHXMVOVOCYUCX-FXLKYTHESA-N
MW425.51 g/mol
LogP2.26
Rot. Bonds7

About 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 170078216) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID170078216
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCC/C=c1\c(C(C)C)nn(CC(=O)Nc2ncc(F)cn2)c(=O)\c1=C\C=C(/C)C1CC1
InChIInChI=1S/C23H28FN5O2/c1-5-6-18-19(10-7-15(4)16-8-9-16)22(31)29(28-21(18)14(2)3)13-20(30)27-23-25-11-17(24)12-26-23/h6-7,10-12,14,16H,5,8-9,13H2,1-4H3,(H,25,26,27,30)/b15-7+,18-6-,19-10+
InChIKeyGIHXMVOVOCYUCX-FXLKYTHESA-N
XLogP2.26
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[3-[2-(3-fluorobut-3-enylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide
CID 156486280
N-[2-[4-[(3S)-3-[(3E,5E)-4,6-difluorohepta-1,3,5-trien-2-yl]-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]cyclopentanecarboxamide
CID 166753360
3-[6-oxo-6-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]hexan-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 168250139
2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 168979822
2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 168979991
3-[6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-oxohexan-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 169933218
3-[4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-4-oxobutyl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 169933221
2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 170077984
2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170078026
5-cyclopropyl-3-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-1H-pyridazin-6-one
CID 171648289
6-Cyclopropyl-2-{4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126935041
2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide
CID 168979878

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 170078216) is 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is CC/C=c1\c(C(C)C)nn(CC(=O)Nc2ncc(F)cn2)c(=O)\c1=C\C=C(/C)C1CC1.
What is the InChIKey of 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is GIHXMVOVOCYUCX-FXLKYTHESA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-5-6-18-19(10-7-15(4)16-8-9-16)22(31)29(28-21(18)14(2)3)13-20(30)27-23-25-11-17(24)12-26-23/h6-7,10-12,14,16H,5,8-9,13H2,1-4H3,(H,25,26,27,30)/b15-7+,18-6-,19-10+.
What are the key properties of 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 425.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 170078216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).