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

C22H25N9O — CID 155552748

IUPAC5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one
SMILESO=c1c2nnnn2c2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C22H25N9O/c32-21-20-26-27-28-31(20)18-14-23-22(25-19(18)30(21)17-6-2-3-7-17)24-15-8-10-16(11-9-15)29-12-4-1-5-13-29/h8-11,14,17H,1-7,12-13H2,(H,23,24,25)
InChIKeyIZZNPVHUGCIEJZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.08
Rot. Bonds4

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

5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one (PubChem CID 155552748) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one
PubChem CID155552748
Molecular FormulaC22H25N9O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one
SMILESO=c1c2nnnn2c2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C22H25N9O/c32-21-20-26-27-28-31(20)18-14-23-22(25-19(18)30(21)17-6-2-3-7-17)24-15-8-10-16(11-9-15)29-12-4-1-5-13-29/h8-11,14,17H,1-7,12-13H2,(H,23,24,25)
InChIKeyIZZNPVHUGCIEJZ-UHFFFAOYSA-N
XLogP3.08
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.08
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-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one?
The IUPAC name of 5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one (CID 155552748) is 5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one.
What is the SMILES notation for 5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one?
The canonical SMILES for 5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one is O=c1c2nnnn2c2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one?
The InChIKey is IZZNPVHUGCIEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O/c32-21-20-26-27-28-31(20)18-14-23-22(25-19(18)30(21)17-6-2-3-7-17)24-15-8-10-16(11-9-15)29-12-4-1-5-13-29/h8-11,14,17H,1-7,12-13H2,(H,23,24,25).
What are the key properties of 5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one?
5-cyclopentyl-7-(4-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one has a molecular weight of 431.50 g/mol, XLogP of 3.08, 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-piperidin-1-ylanilino)tetrazolo[1,5-f]pteridin-4-one is sourced from PubChem (CID 155552748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).