5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one

C27H35N11O — CID 155561998

IUPAC5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
SMILESCN1CCN(C2CCN(c3ccc(Nc4ncc5c(n4)n(C4CCCC4)c(=O)c4nnnn45)cc3)CC2)CC1
InChIInChI=1S/C27H35N11O/c1-34-14-16-36(17-15-34)21-10-12-35(13-11-21)20-8-6-19(7-9-20)29-27-28-18-23-24(30-27)37(22-4-2-3-5-22)26(39)25-31-32-33-38(23)25/h6-9,18,21-22H,2-5,10-17H2,1H3,(H,28,29,30)
InChIKeyATRUVYVWTLZGGQ-UHFFFAOYSA-N
MW529.65 g/mol
LogP2.30
Rot. Bonds5

About 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one

5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one (PubChem CID 155561998) has the molecular formula C27H35N11O and a molecular weight of 529.65 g/mol. Its IUPAC name is 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
PubChem CID155561998
Molecular FormulaC27H35N11O
Molecular Weight529.65 g/mol
Exact Mass529.30
IUPAC Name5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
SMILESCN1CCN(C2CCN(c3ccc(Nc4ncc5c(n4)n(C4CCCC4)c(=O)c4nnnn45)cc3)CC2)CC1
InChIInChI=1S/C27H35N11O/c1-34-14-16-36(17-15-34)21-10-12-35(13-11-21)20-8-6-19(7-9-20)29-27-28-18-23-24(30-27)37(22-4-2-3-5-22)26(39)25-31-32-33-38(23)25/h6-9,18,21-22H,2-5,10-17H2,1H3,(H,28,29,30)
InChIKeyATRUVYVWTLZGGQ-UHFFFAOYSA-N
XLogP2.30
TPSA112.61 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.65
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one 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

5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
CID 155525072
8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
CID 91144575
6-(4-chlorophenyl)sulfonyl-8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 53253064
8-(4-methylcyclohexyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18374881
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
9-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methylpurin-8-one
CID 67159293
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
1-[4-[(8-cyclohexyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidine-4-carboxylic acid
CID 18375092
7-cyclopentyl-2-[4-[2-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]ethyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586152
8-cyclopentyl-2-[4-(3-hydroxypyrrolidin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330345
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one?
The IUPAC name of 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one (CID 155561998) is 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one.
What is the SMILES notation for 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one?
The canonical SMILES for 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one is CN1CCN(C2CCN(c3ccc(Nc4ncc5c(n4)n(C4CCCC4)c(=O)c4nnnn45)cc3)CC2)CC1.
What is the InChIKey of 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one?
The InChIKey is ATRUVYVWTLZGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N11O/c1-34-14-16-36(17-15-34)21-10-12-35(13-11-21)20-8-6-19(7-9-20)29-27-28-18-23-24(30-27)37(22-4-2-3-5-22)26(39)25-31-32-33-38(23)25/h6-9,18,21-22H,2-5,10-17H2,1H3,(H,28,29,30).
What are the key properties of 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one?
5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one has a molecular weight of 529.65 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one is sourced from PubChem (CID 155561998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).