8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one

C25H35N7O2 — CID 175122644

IUPAC8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(NN=Cc3ccc(N(CC)CC)cc3O)nc2N1C1CCCC1
InChIInChI=1S/C25H35N7O2/c1-5-20-24(34)30(4)21-16-26-25(28-23(21)32(20)18-10-8-9-11-18)29-27-15-17-12-13-19(14-22(17)33)31(6-2)7-3/h12-16,18,20,33H,5-11H2,1-4H3,(H,26,28,29)
InChIKeyPCAFRABHVNXJLE-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.98
Rot. Bonds8

About 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one

8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one (PubChem CID 175122644) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one
PubChem CID175122644
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(NN=Cc3ccc(N(CC)CC)cc3O)nc2N1C1CCCC1
InChIInChI=1S/C25H35N7O2/c1-5-20-24(34)30(4)21-16-26-25(28-23(21)32(20)18-10-8-9-11-18)29-27-15-17-12-13-19(14-22(17)33)31(6-2)7-3/h12-16,18,20,33H,5-11H2,1-4H3,(H,26,28,29)
InChIKeyPCAFRABHVNXJLE-UHFFFAOYSA-N
XLogP3.98
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one?
The IUPAC name of 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one (CID 175122644) is 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(NN=Cc3ccc(N(CC)CC)cc3O)nc2N1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one?
The InChIKey is PCAFRABHVNXJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-5-20-24(34)30(4)21-16-26-25(28-23(21)32(20)18-10-8-9-11-18)29-27-15-17-12-13-19(14-22(17)33)31(6-2)7-3/h12-16,18,20,33H,5-11H2,1-4H3,(H,26,28,29).
What are the key properties of 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one?
8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one has a molecular weight of 465.60 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-7-ethyl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 175122644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).