6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one

C14H18ClN7O — CID 86616759

IUPAC6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one
SMILESO=c1[nH]c2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl
InChIInChI=1S/C14H18ClN7O/c15-10-13(23)18-11-9(17-10)12(21-5-1-2-6-21)20-14(19-11)22-7-3-16-4-8-22/h16H,1-8H2,(H,18,19,20,23)
InChIKeyQGNLUWOPTRBVLB-UHFFFAOYSA-N
MW335.80 g/mol
LogP0.38
Rot. Bonds2

About 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one

6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one (PubChem CID 86616759) has the molecular formula C14H18ClN7O and a molecular weight of 335.80 g/mol. Its IUPAC name is 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one.

Molecular Properties

Compound Name6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one
PubChem CID86616759
Molecular FormulaC14H18ClN7O
Molecular Weight335.80 g/mol
Exact Mass335.13
IUPAC Name6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one
SMILESO=c1[nH]c2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl
InChIInChI=1S/C14H18ClN7O/c15-10-13(23)18-11-9(17-10)12(21-5-1-2-6-21)20-14(19-11)22-7-3-16-4-8-22/h16H,1-8H2,(H,18,19,20,23)
InChIKeyQGNLUWOPTRBVLB-UHFFFAOYSA-N
XLogP0.38
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-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 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one?
The IUPAC name of 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one (CID 86616759) is 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one.
What is the SMILES notation for 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one?
The canonical SMILES for 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one is O=c1[nH]c2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl.
What is the InChIKey of 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one?
The InChIKey is QGNLUWOPTRBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN7O/c15-10-13(23)18-11-9(17-10)12(21-5-1-2-6-21)20-14(19-11)22-7-3-16-4-8-22/h16H,1-8H2,(H,18,19,20,23).
What are the key properties of 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one?
6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one has a molecular weight of 335.80 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one is sourced from PubChem (CID 86616759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).