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

C18H19ClFN5 — CID 90289042

IUPAC2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H19ClFN5/c19-18-4-3-16-17(23-18)7-13(8-21-16)14-9-22-25(10-14)12-15(20)11-24-5-1-2-6-24/h3-4,7-10,15H,1-2,5-6,11-12H2
InChIKeyYFCAQFSQDIGPRI-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.58
Rot. Bonds5

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

2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90289042) has the molecular formula C18H19ClFN5 and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90289042
Molecular FormulaC18H19ClFN5
Molecular Weight359.84 g/mol
Exact Mass359.13
IUPAC Name2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H19ClFN5/c19-18-4-3-16-17(23-18)7-13(8-21-16)14-9-22-25(10-14)12-15(20)11-24-5-1-2-6-24/h3-4,7-10,15H,1-2,5-6,11-12H2
InChIKeyYFCAQFSQDIGPRI-UHFFFAOYSA-N
XLogP3.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.58
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-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90289042) is 2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is FC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is YFCAQFSQDIGPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5/c19-18-4-3-16-17(23-18)7-13(8-21-16)14-9-22-25(10-14)12-15(20)11-24-5-1-2-6-24/h3-4,7-10,15H,1-2,5-6,11-12H2.
What are the key properties of 2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 359.84 g/mol, XLogP of 3.58, 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-(2-fluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90289042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).