8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one

C19H17FN4O2 — CID 134792643

IUPAC8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C(c1ccccc1F)N1CCC2(CC1)C(=O)NN=C2c1ccncc1
InChIInChI=1S/C19H17FN4O2/c20-15-4-2-1-3-14(15)17(25)24-11-7-19(8-12-24)16(22-23-18(19)26)13-5-9-21-10-6-13/h1-6,9-10H,7-8,11-12H2,(H,23,26)
InChIKeyLSEMRANUCXZTLX-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.98
Rot. Bonds2

About 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one

8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 134792643) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID134792643
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C(c1ccccc1F)N1CCC2(CC1)C(=O)NN=C2c1ccncc1
InChIInChI=1S/C19H17FN4O2/c20-15-4-2-1-3-14(15)17(25)24-11-7-19(8-12-24)16(22-23-18(19)26)13-5-9-21-10-6-13/h1-6,9-10H,7-8,11-12H2,(H,23,26)
InChIKeyLSEMRANUCXZTLX-UHFFFAOYSA-N
XLogP1.98
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Related Compounds

8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131648127
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridin-4-ylpropan-1-one
CID 78898612
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone
CID 91888974
(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
CID 143120198
8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 134795516
4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 137298934
[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 123415741
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
(3R)-N-ethyl-1-(2-fluorobenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592440

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 134792643) is 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one is O=C(c1ccccc1F)N1CCC2(CC1)C(=O)NN=C2c1ccncc1.
What is the InChIKey of 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is LSEMRANUCXZTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-4-2-1-3-14(15)17(25)24-11-7-19(8-12-24)16(22-23-18(19)26)13-5-9-21-10-6-13/h1-6,9-10H,7-8,11-12H2,(H,23,26).
What are the key properties of 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 352.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 134792643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).