6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine

C25H31N7 — CID 139422031

IUPAC6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine
SMILESC1=CC2=CCC=CN2C(N2CCN(c3ncc4ccn(CCN5CCCC5)c4n3)CC2)=C1
InChIInChI=1S/C25H31N7/c1-2-12-32-22(6-1)7-5-8-23(32)29-16-18-31(19-17-29)25-26-20-21-9-13-30(24(21)27-25)15-14-28-10-3-4-11-28/h2,5-9,12-13,20H,1,3-4,10-11,14-19H2
InChIKeyLLMZNHNXRZZQQY-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.16
Rot. Bonds5

About 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine

6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine (PubChem CID 139422031) has the molecular formula C25H31N7 and a molecular weight of 429.57 g/mol. Its IUPAC name is 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine.

Molecular Properties

Compound Name6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine
PubChem CID139422031
Molecular FormulaC25H31N7
Molecular Weight429.57 g/mol
Exact Mass429.26
IUPAC Name6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine
SMILESC1=CC2=CCC=CN2C(N2CCN(c3ncc4ccn(CCN5CCCC5)c4n3)CC2)=C1
InChIInChI=1S/C25H31N7/c1-2-12-32-22(6-1)7-5-8-23(32)29-16-18-31(19-17-29)25-26-20-21-9-13-30(24(21)27-25)15-14-28-10-3-4-11-28/h2,5-9,12-13,20H,1,3-4,10-11,14-19H2
InChIKeyLLMZNHNXRZZQQY-UHFFFAOYSA-N
XLogP3.16
TPSA43.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine 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-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine?
The IUPAC name of 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine (CID 139422031) is 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine.
What is the SMILES notation for 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine?
The canonical SMILES for 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine is C1=CC2=CCC=CN2C(N2CCN(c3ncc4ccn(CCN5CCCC5)c4n3)CC2)=C1.
What is the InChIKey of 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine?
The InChIKey is LLMZNHNXRZZQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7/c1-2-12-32-22(6-1)7-5-8-23(32)29-16-18-31(19-17-29)25-26-20-21-9-13-30(24(21)27-25)15-14-28-10-3-4-11-28/h2,5-9,12-13,20H,1,3-4,10-11,14-19H2.
What are the key properties of 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine?
6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine has a molecular weight of 429.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[7-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-2H-quinolizine is sourced from PubChem (CID 139422031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).