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

C19H21N9O — CID 155517036

IUPAC5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one
SMILESCN(C)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c(=O)c2nnnn23)cc1
InChIInChI=1S/C19H21N9O/c1-26(2)13-9-7-12(8-10-13)21-19-20-11-15-16(22-19)27(14-5-3-4-6-14)18(29)17-23-24-25-28(15)17/h7-11,14H,3-6H2,1-2H3,(H,20,21,22)
InChIKeyWBCIXWLUHLPCSR-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.15
Rot. Bonds4

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

5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one (PubChem CID 155517036) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one
PubChem CID155517036
Molecular FormulaC19H21N9O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one
SMILESCN(C)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c(=O)c2nnnn23)cc1
InChIInChI=1S/C19H21N9O/c1-26(2)13-9-7-12(8-10-13)21-19-20-11-15-16(22-19)27(14-5-3-4-6-14)18(29)17-23-24-25-28(15)17/h7-11,14H,3-6H2,1-2H3,(H,20,21,22)
InChIKeyWBCIXWLUHLPCSR-UHFFFAOYSA-N
XLogP2.15
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

US10407446, Example 13
CID 135151301
2-[4-(4-Acetylpiperazin-1-yl)anilino]-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine
CID 11316094
2-{4-[4-(2-Dimethylaminoacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine
CID 44578649
N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide
CID 71457188
5-Cyclopentyl-7-[4-(4-ethylpiperazin-1-yl)anilino]-1-methyl-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534136
5-Cyclopentyl-7-[4-(3,5-dimethylpiperazin-1-yl)anilino]-1-methyl-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534142
5-Cyclopentyl-7-[4-(4-ethylpiperazin-1-yl)anilino]-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534145
5-Cyclopentyl-7-[4-(3,5-dimethylpiperazin-1-yl)anilino]-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534153
5-Cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]-1-methyl-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534154
5-Cyclopentyl-1-methyl-7-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534159
2-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 821825
[4-(4-Fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 2528622

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one?
The IUPAC name of 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one (CID 155517036) is 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one.
What is the SMILES notation for 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one?
The canonical SMILES for 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one is CN(C)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c(=O)c2nnnn23)cc1.
What is the InChIKey of 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one?
The InChIKey is WBCIXWLUHLPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O/c1-26(2)13-9-7-12(8-10-13)21-19-20-11-15-16(22-19)27(14-5-3-4-6-14)18(29)17-23-24-25-28(15)17/h7-11,14H,3-6H2,1-2H3,(H,20,21,22).
What are the key properties of 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one?
5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one has a molecular weight of 391.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-7-[4-(dimethylamino)anilino]tetrazolo[1,5-f]pteridin-4-one is sourced from PubChem (CID 155517036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).