N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline

C25H21N5 — CID 67259171

IUPACN-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline
SMILESc1ccc(NCCc2[nH]nc(-c3ccccn3)c2-c2ccnc3ccccc23)cc1
InChIInChI=1S/C25H21N5/c1-2-8-18(9-3-1)26-17-14-22-24(25(30-29-22)23-12-6-7-15-27-23)20-13-16-28-21-11-5-4-10-19(20)21/h1-13,15-16,26H,14,17H2,(H,29,30)
InChIKeyKFBJBWOKLMELNQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP5.34
Rot. Bonds6

About N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline

N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline (PubChem CID 67259171) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline
PubChem CID67259171
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC NameN-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline
SMILESc1ccc(NCCc2[nH]nc(-c3ccccn3)c2-c2ccnc3ccccc23)cc1
InChIInChI=1S/C25H21N5/c1-2-8-18(9-3-1)26-17-14-22-24(25(30-29-22)23-12-6-7-15-27-23)20-13-16-28-21-11-5-4-10-19(20)21/h1-13,15-16,26H,14,17H2,(H,29,30)
InChIKeyKFBJBWOKLMELNQ-UHFFFAOYSA-N
XLogP5.34
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline 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 N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline?
The IUPAC name of N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline (CID 67259171) is N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline?
The canonical SMILES for N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline is c1ccc(NCCc2[nH]nc(-c3ccccn3)c2-c2ccnc3ccccc23)cc1.
What is the InChIKey of N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline?
The InChIKey is KFBJBWOKLMELNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5/c1-2-8-18(9-3-1)26-17-14-22-24(25(30-29-22)23-12-6-7-15-27-23)20-13-16-28-21-11-5-4-10-19(20)21/h1-13,15-16,26H,14,17H2,(H,29,30).
What are the key properties of N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline?
N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline has a molecular weight of 391.48 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 67259171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).