N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide

C22H22FN5O — CID 142617023

IUPACN-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide
SMILESN#Cc1ccc(N2C[C@@H](NC(=O)Cc3ccc(C4CC4)c(F)c3)C3(CC3)C2)nn1
InChIInChI=1S/C22H22FN5O/c23-18-9-14(1-5-17(18)15-2-3-15)10-21(29)25-19-12-28(13-22(19)7-8-22)20-6-4-16(11-24)26-27-20/h1,4-6,9,15,19H,2-3,7-8,10,12-13H2,(H,25,29)/t19-/m1/s1
InChIKeyACNVGHJJXQMXEN-LJQANCHMSA-N
MW391.45 g/mol
LogP2.69
Rot. Bonds5

About N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide

N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide (PubChem CID 142617023) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide
PubChem CID142617023
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide
SMILESN#Cc1ccc(N2C[C@@H](NC(=O)Cc3ccc(C4CC4)c(F)c3)C3(CC3)C2)nn1
InChIInChI=1S/C22H22FN5O/c23-18-9-14(1-5-17(18)15-2-3-15)10-21(29)25-19-12-28(13-22(19)7-8-22)20-6-4-16(11-24)26-27-20/h1,4-6,9,15,19H,2-3,7-8,10,12-13H2,(H,25,29)/t19-/m1/s1
InChIKeyACNVGHJJXQMXEN-LJQANCHMSA-N
XLogP2.69
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[3-(3-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425953
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
CID 139547940
6-[(2R)-4-[2-[3-fluoro-4-(1-fluorocyclopropyl)phenyl]acetyl]-2-methylpiperazin-1-yl]pyridazine-3-carbonitrile
CID 142616933
N-[(3R,4R)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 139547772
1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117293738
2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one
CID 178096362
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
CID 178096352
6-[(4S)-3-[3-(2-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]-4-hydroxypyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425968
6-[4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 21356602
6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425940

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide?
The IUPAC name of N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide (CID 142617023) is N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide?
The canonical SMILES for N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide is N#Cc1ccc(N2C[C@@H](NC(=O)Cc3ccc(C4CC4)c(F)c3)C3(CC3)C2)nn1.
What is the InChIKey of N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide?
The InChIKey is ACNVGHJJXQMXEN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-18-9-14(1-5-17(18)15-2-3-15)10-21(29)25-19-12-28(13-22(19)7-8-22)20-6-4-16(11-24)26-27-20/h1,4-6,9,15,19H,2-3,7-8,10,12-13H2,(H,25,29)/t19-/m1/s1.
What are the key properties of N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide?
N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-2-(4-cyclopropyl-3-fluorophenyl)acetamide is sourced from PubChem (CID 142617023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).