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

C18H20ClN5 — CID 90287857

IUPAC2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(CCCN4CCCC4)c3)cc2n1
InChIInChI=1S/C18H20ClN5/c19-18-5-4-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)9-3-8-23-6-1-2-7-23/h4-5,10-13H,1-3,6-9H2
InChIKeyNMYVAWBOJYVEBQ-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.63
Rot. Bonds5

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

2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90287857) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90287857
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(CCCN4CCCC4)c3)cc2n1
InChIInChI=1S/C18H20ClN5/c19-18-5-4-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)9-3-8-23-6-1-2-7-23/h4-5,10-13H,1-3,6-9H2
InChIKeyNMYVAWBOJYVEBQ-UHFFFAOYSA-N
XLogP3.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90287857) is 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is Clc1ccc2ncc(-c3cnn(CCCN4CCCC4)c3)cc2n1.
What is the InChIKey of 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is NMYVAWBOJYVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c19-18-5-4-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)9-3-8-23-6-1-2-7-23/h4-5,10-13H,1-3,6-9H2.
What are the key properties of 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 341.85 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90287857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).