2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one

C17H24ClN7O — CID 175225919

IUPAC2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one
SMILESNc1nc(Cl)c2ncc(=O)n(CCN3CCN(C4CCCC4)CC3)c2n1
InChIInChI=1S/C17H24ClN7O/c18-15-14-16(22-17(19)21-15)25(13(26)11-20-14)10-7-23-5-8-24(9-6-23)12-3-1-2-4-12/h11-12H,1-10H2,(H2,19,21,22)
InChIKeyXCAKJBDPRKXTQC-UHFFFAOYSA-N
MW377.88 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one

2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one (PubChem CID 175225919) has the molecular formula C17H24ClN7O and a molecular weight of 377.88 g/mol. Its IUPAC name is 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one.

Molecular Properties

Compound Name2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one
PubChem CID175225919
Molecular FormulaC17H24ClN7O
Molecular Weight377.88 g/mol
Exact Mass377.17
IUPAC Name2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one
SMILESNc1nc(Cl)c2ncc(=O)n(CCN3CCN(C4CCCC4)CC3)c2n1
InChIInChI=1S/C17H24ClN7O/c18-15-14-16(22-17(19)21-15)25(13(26)11-20-14)10-7-23-5-8-24(9-6-23)12-3-1-2-4-12/h11-12H,1-10H2,(H2,19,21,22)
InChIKeyXCAKJBDPRKXTQC-UHFFFAOYSA-N
XLogP0.98
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one?
The IUPAC name of 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one (CID 175225919) is 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one.
What is the SMILES notation for 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one?
The canonical SMILES for 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one is Nc1nc(Cl)c2ncc(=O)n(CCN3CCN(C4CCCC4)CC3)c2n1.
What is the InChIKey of 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one?
The InChIKey is XCAKJBDPRKXTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7O/c18-15-14-16(22-17(19)21-15)25(13(26)11-20-14)10-7-23-5-8-24(9-6-23)12-3-1-2-4-12/h11-12H,1-10H2,(H2,19,21,22).
What are the key properties of 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one?
2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one has a molecular weight of 377.88 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one is sourced from PubChem (CID 175225919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).