5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one

C24H31N7O2 — CID 10138745

IUPAC5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one
SMILESCCCOc1cc2nnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H31N7O2/c1-2-15-33-21-16-20-22(31(23(21)32)19-5-3-4-6-19)27-24(29-28-20)26-17-7-9-18(10-8-17)30-13-11-25-12-14-30/h7-10,16,19,25H,2-6,11-15H2,1H3,(H,26,27,29)
InChIKeyUYFRDOSSNYUPIJ-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.24
Rot. Bonds7

About 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one

5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one (PubChem CID 10138745) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one
PubChem CID10138745
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one
SMILESCCCOc1cc2nnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H31N7O2/c1-2-15-33-21-16-20-22(31(23(21)32)19-5-3-4-6-19)27-24(29-28-20)26-17-7-9-18(10-8-17)30-13-11-25-12-14-30/h7-10,16,19,25H,2-6,11-15H2,1H3,(H,26,27,29)
InChIKeyUYFRDOSSNYUPIJ-UHFFFAOYSA-N
XLogP3.24
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 25096679
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
8-cyclopentyl-6-(2-methylpropoxy)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 10152333
8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;dihydrochloride
CID 68605600
7-cyclopentyl-5,5-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-6-one
CID 58015854
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284
7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 59290955
8-cyclopentyl-2-[4-(4-prop-2-ynylpiperazin-1-yl)anilino]pteridin-7-one
CID 170695290
1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile
CID 155458659
5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
CID 155561998
8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one
CID 10135072

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one?
The IUPAC name of 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one (CID 10138745) is 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one.
What is the SMILES notation for 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one?
The canonical SMILES for 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one is CCCOc1cc2nnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one?
The InChIKey is UYFRDOSSNYUPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-2-15-33-21-16-20-22(31(23(21)32)19-5-3-4-6-19)27-24(29-28-20)26-17-7-9-18(10-8-17)30-13-11-25-12-14-30/h7-10,16,19,25H,2-6,11-15H2,1H3,(H,26,27,29).
What are the key properties of 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one?
5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one has a molecular weight of 449.56 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one is sourced from PubChem (CID 10138745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).