2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine

C20H24ClN5 — CID 90288596

IUPAC2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCCc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C20H24ClN5/c1-2-17-16(14-26(24-17)11-5-10-25-8-3-4-9-25)15-12-19-18(22-13-15)6-7-20(21)23-19/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyVECZJRJICZKJSH-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.20
Rot. Bonds6

About 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288596) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288596
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCCc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C20H24ClN5/c1-2-17-16(14-26(24-17)11-5-10-25-8-3-4-9-25)15-12-19-18(22-13-15)6-7-20(21)23-19/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyVECZJRJICZKJSH-UHFFFAOYSA-N
XLogP4.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-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-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288596) is 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is CCc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is VECZJRJICZKJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-2-17-16(14-26(24-17)11-5-10-25-8-3-4-9-25)15-12-19-18(22-13-15)6-7-20(21)23-19/h6-7,12-14H,2-5,8-11H2,1H3.
What are the key properties of 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 369.90 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[3-ethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).