6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine

C18H17N7O — CID 68775091

IUPAC6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cnn(Cc4ccccc4)c3)nc12
InChIInChI=1S/C18H17N7O/c1-2-26-17-15-16(23-18(19)24-17)20-9-14(22-15)13-8-21-25(11-13)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,19,20,23,24)
InChIKeyXVPWJBVGQKJYKK-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.31
Rot. Bonds5

About 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine

6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine (PubChem CID 68775091) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine.

Molecular Properties

Compound Name6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine
PubChem CID68775091
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cnn(Cc4ccccc4)c3)nc12
InChIInChI=1S/C18H17N7O/c1-2-26-17-15-16(23-18(19)24-17)20-9-14(22-15)13-8-21-25(11-13)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,19,20,23,24)
InChIKeyXVPWJBVGQKJYKK-UHFFFAOYSA-N
XLogP2.31
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine 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 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine?
The IUPAC name of 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine (CID 68775091) is 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine.
What is the SMILES notation for 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine?
The canonical SMILES for 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine is CCOc1nc(N)nc2ncc(-c3cnn(Cc4ccccc4)c3)nc12.
What is the InChIKey of 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine?
The InChIKey is XVPWJBVGQKJYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-26-17-15-16(23-18(19)24-17)20-9-14(22-15)13-8-21-25(11-13)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,19,20,23,24).
What are the key properties of 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine?
6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine has a molecular weight of 347.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpyrazol-4-yl)-4-ethoxypteridin-2-amine is sourced from PubChem (CID 68775091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).