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

C22H25N9O — CID 155535082

IUPAC5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one
SMILESO=c1c2nnnn2c2cnc(Nc3ccc(NC4CCCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C22H25N9O/c32-21-20-27-28-29-31(20)18-13-23-22(26-19(18)30(21)17-7-3-4-8-17)25-16-11-9-15(10-12-16)24-14-5-1-2-6-14/h9-14,17,24H,1-8H2,(H,23,25,26)
InChIKeyNZYYFSYTEOPIJN-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.44
Rot. Bonds5

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

5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one (PubChem CID 155535082) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one
PubChem CID155535082
Molecular FormulaC22H25N9O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one
SMILESO=c1c2nnnn2c2cnc(Nc3ccc(NC4CCCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C22H25N9O/c32-21-20-27-28-29-31(20)18-13-23-22(26-19(18)30(21)17-7-3-4-8-17)25-16-11-9-15(10-12-16)24-14-5-1-2-6-14/h9-14,17,24H,1-8H2,(H,23,25,26)
InChIKeyNZYYFSYTEOPIJN-UHFFFAOYSA-N
XLogP3.44
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-{4-[4-(2-Dimethylaminoacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine
CID 44578649
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-(Diethylamino)-1-[4-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 44578650
5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 155520739
4-N-(5-cyclopentyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)benzene-1,4-diamine
CID 155553102
5-Cyclopentyl-7-[4-(3,5-dimethylpiperazin-1-yl)anilino]tetrazolo[1,5-f]pteridin-4-one
CID 155562701
5-Cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534132

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one?
The IUPAC name of 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one (CID 155535082) is 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one.
What is the SMILES notation for 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one?
The canonical SMILES for 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one is O=c1c2nnnn2c2cnc(Nc3ccc(NC4CCCC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one?
The InChIKey is NZYYFSYTEOPIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O/c32-21-20-27-28-29-31(20)18-13-23-22(26-19(18)30(21)17-7-3-4-8-17)25-16-11-9-15(10-12-16)24-14-5-1-2-6-14/h9-14,17,24H,1-8H2,(H,23,25,26).
What are the key properties of 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one?
5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one has a molecular weight of 431.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-7-[4-(cyclopentylamino)anilino]tetrazolo[1,5-f]pteridin-4-one is sourced from PubChem (CID 155535082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).