5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one

C21H23N9O — CID 155525294

IUPAC5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one
SMILESO=c1c2nnnn2c2cnc(Nc3ccc(N4CCCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C21H23N9O/c31-20-19-25-26-27-30(19)17-13-22-21(24-18(17)29(20)16-5-1-2-6-16)23-14-7-9-15(10-8-14)28-11-3-4-12-28/h7-10,13,16H,1-6,11-12H2,(H,22,23,24)
InChIKeyVTLUTGREMAJVSK-UHFFFAOYSA-N
MW417.48 g/mol
LogP2.69
Rot. Bonds4

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

5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one (PubChem CID 155525294) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is 5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one
PubChem CID155525294
Molecular FormulaC21H23N9O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one
SMILESO=c1c2nnnn2c2cnc(Nc3ccc(N4CCCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C21H23N9O/c31-20-19-25-26-27-30(19)17-13-22-21(24-18(17)29(20)16-5-1-2-6-16)23-14-7-9-15(10-8-14)28-11-3-4-12-28/h7-10,13,16H,1-6,11-12H2,(H,22,23,24)
InChIKeyVTLUTGREMAJVSK-UHFFFAOYSA-N
XLogP2.69
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one?
The IUPAC name of 5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one (CID 155525294) is 5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one.
What is the SMILES notation for 5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one?
The canonical SMILES for 5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one is O=c1c2nnnn2c2cnc(Nc3ccc(N4CCCC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one?
The InChIKey is VTLUTGREMAJVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O/c31-20-19-25-26-27-30(19)17-13-22-21(24-18(17)29(20)16-5-1-2-6-16)23-14-7-9-15(10-8-14)28-11-3-4-12-28/h7-10,13,16H,1-6,11-12H2,(H,22,23,24).
What are the key properties of 5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one?
5-cyclopentyl-7-(4-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one has a molecular weight of 417.48 g/mol, XLogP of 2.69, 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-pyrrolidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one is sourced from PubChem (CID 155525294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).