8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one

C25H28N6O — CID 175354008

IUPAC8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(NN=Cc3cccc4ccccc34)nc2N1C1CCCC1
InChIInChI=1S/C25H28N6O/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-12-5-6-13-19)29-27-15-18-11-8-10-17-9-4-7-14-20(17)18/h4,7-11,14-16,19,21H,3,5-6,12-13H2,1-2H3,(H,26,28,29)
InChIKeyBWWQUWGZBNYWFI-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.58
Rot. Bonds5

About 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one

8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one (PubChem CID 175354008) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one
PubChem CID175354008
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(NN=Cc3cccc4ccccc34)nc2N1C1CCCC1
InChIInChI=1S/C25H28N6O/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-12-5-6-13-19)29-27-15-18-11-8-10-17-9-4-7-14-20(17)18/h4,7-11,14-16,19,21H,3,5-6,12-13H2,1-2H3,(H,26,28,29)
InChIKeyBWWQUWGZBNYWFI-UHFFFAOYSA-N
XLogP4.58
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one?
The IUPAC name of 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one (CID 175354008) is 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(NN=Cc3cccc4ccccc34)nc2N1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one?
The InChIKey is BWWQUWGZBNYWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-12-5-6-13-19)29-27-15-18-11-8-10-17-9-4-7-14-20(17)18/h4,7-11,14-16,19,21H,3,5-6,12-13H2,1-2H3,(H,26,28,29).
What are the key properties of 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one?
8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one has a molecular weight of 428.54 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one is sourced from PubChem (CID 175354008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).