8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one

C24H33N7O — CID 162655779

IUPAC8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one
SMILESCCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCC(C)CC4)cn3)ncc21
InChIInChI=1S/C24H33N7O/c1-3-30-20-15-26-24(28-23(20)31(16-22(30)32)18-6-4-5-7-18)27-21-9-8-19(14-25-21)29-12-10-17(2)11-13-29/h8-9,14-15,17-18H,3-7,10-13,16H2,1-2H3,(H,25,26,27,28)
InChIKeyLXQSAVMYIWXVFQ-UHFFFAOYSA-N
MW435.58 g/mol
LogP3.97
Rot. Bonds5

About 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one

8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one (PubChem CID 162655779) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one
PubChem CID162655779
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one
SMILESCCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCC(C)CC4)cn3)ncc21
InChIInChI=1S/C24H33N7O/c1-3-30-20-15-26-24(28-23(20)31(16-22(30)32)18-6-4-5-7-18)27-21-9-8-19(14-25-21)29-12-10-17(2)11-13-29/h8-9,14-15,17-18H,3-7,10-13,16H2,1-2H3,(H,25,26,27,28)
InChIKeyLXQSAVMYIWXVFQ-UHFFFAOYSA-N
XLogP3.97
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one?
The IUPAC name of 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one (CID 162655779) is 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one is CCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCC(C)CC4)cn3)ncc21.
What is the InChIKey of 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one?
The InChIKey is LXQSAVMYIWXVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-3-30-20-15-26-24(28-23(20)31(16-22(30)32)18-6-4-5-7-18)27-21-9-8-19(14-25-21)29-12-10-17(2)11-13-29/h8-9,14-15,17-18H,3-7,10-13,16H2,1-2H3,(H,25,26,27,28).
What are the key properties of 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one?
8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one has a molecular weight of 435.58 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one is sourced from PubChem (CID 162655779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).