2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine

C32H28ClFN4 — CID 134188695

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(CCN4CCCCC4)cc3)c2)c2cccnc2n1
InChIInChI=1S/C32H28ClFN4/c33-26-10-11-30(34)29(18-26)31-19-28(27-5-4-13-36-32(27)37-31)25-17-24(20-35-21-25)23-8-6-22(7-9-23)12-16-38-14-2-1-3-15-38/h4-11,13,17-21H,1-3,12,14-16H2
InChIKeySQWMSCHOJPRTEW-UHFFFAOYSA-N
MW523.06 g/mol
LogP7.85
Rot. Bonds6

About 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 134188695) has the molecular formula C32H28ClFN4 and a molecular weight of 523.06 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID134188695
Molecular FormulaC32H28ClFN4
Molecular Weight523.06 g/mol
Exact Mass522.20
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(CCN4CCCCC4)cc3)c2)c2cccnc2n1
InChIInChI=1S/C32H28ClFN4/c33-26-10-11-30(34)29(18-26)31-19-28(27-5-4-13-36-32(27)37-31)25-17-24(20-35-21-25)23-8-6-22(7-9-23)12-16-38-14-2-1-3-15-38/h4-11,13,17-21H,1-3,12,14-16H2
InChIKeySQWMSCHOJPRTEW-UHFFFAOYSA-N
XLogP7.85
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.06
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine 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 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine (CID 134188695) is 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(CCN4CCCCC4)cc3)c2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is SQWMSCHOJPRTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClFN4/c33-26-10-11-30(34)29(18-26)31-19-28(27-5-4-13-36-32(27)37-31)25-17-24(20-35-21-25)23-8-6-22(7-9-23)12-16-38-14-2-1-3-15-38/h4-11,13,17-21H,1-3,12,14-16H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 523.06 g/mol, XLogP of 7.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-piperidin-1-ylethyl)phenyl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 134188695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).