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

C24H26FN5O2 — CID 137298934

IUPAC4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C(c1ccccc1F)N1CCC2(CC1)/C(=N/C1CCCC1)NC(=O)N2c1cccnc1
InChIInChI=1S/C24H26FN5O2/c25-20-10-4-3-9-19(20)21(31)29-14-11-24(12-15-29)22(27-17-6-1-2-7-17)28-23(32)30(24)18-8-5-13-26-16-18/h3-5,8-10,13,16-17H,1-2,6-7,11-12,14-15H2,(H,27,28,32)
InChIKeyGUPJQTTZAOKPLA-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.77
Rot. Bonds3

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

4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 137298934) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID137298934
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C(c1ccccc1F)N1CCC2(CC1)/C(=N/C1CCCC1)NC(=O)N2c1cccnc1
InChIInChI=1S/C24H26FN5O2/c25-20-10-4-3-9-19(20)21(31)29-14-11-24(12-15-29)22(27-17-6-1-2-7-17)28-23(32)30(24)18-8-5-13-26-16-18/h3-5,8-10,13,16-17H,1-2,6-7,11-12,14-15H2,(H,27,28,32)
InChIKeyGUPJQTTZAOKPLA-UHFFFAOYSA-N
XLogP3.77
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

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Related Compounds

4-cyclohexylimino-9-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,9-triazaspiro[4.5]decan-2-one
CID 137298972
4-cyclohexylimino-8-(2-fluorobenzoyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 137298983
CID 137299535
CID 137299535
CID 137298850
CID 137298850
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
8-[[6-(benzylamino)-3-pyridinyl]methyl]-4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 171924651
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816122
4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 137298758
8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131648127
8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 134792643
4-cyclohexylimino-1-(3,5-difluorophenyl)-9-(4-methoxybenzoyl)-1,3,9-triazaspiro[4.5]decan-2-one
CID 137298886
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
CID 97493577

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one (CID 137298934) is 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one is O=C(c1ccccc1F)N1CCC2(CC1)/C(=N/C1CCCC1)NC(=O)N2c1cccnc1.
What is the InChIKey of 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is GUPJQTTZAOKPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-20-10-4-3-9-19(20)21(31)29-14-11-24(12-15-29)22(27-17-6-1-2-7-17)28-23(32)30(24)18-8-5-13-26-16-18/h3-5,8-10,13,16-17H,1-2,6-7,11-12,14-15H2,(H,27,28,32).
What are the key properties of 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one?
4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 435.50 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylimino-8-(2-fluorobenzoyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 137298934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).