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

C18H18ClF2N5 — CID 90289275

IUPAC2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFC(F)(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H18ClF2N5/c19-17-4-3-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-5-1-2-6-25/h3-4,7-10H,1-2,5-6,11-12H2
InChIKeyZDYUZFUTKKWYOQ-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.88
Rot. Bonds5

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

2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90289275) has the molecular formula C18H18ClF2N5 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90289275
Molecular FormulaC18H18ClF2N5
Molecular Weight377.83 g/mol
Exact Mass377.12
IUPAC Name2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFC(F)(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H18ClF2N5/c19-17-4-3-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-5-1-2-6-25/h3-4,7-10H,1-2,5-6,11-12H2
InChIKeyZDYUZFUTKKWYOQ-UHFFFAOYSA-N
XLogP3.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.88
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-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90289275) is 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is FC(F)(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is ZDYUZFUTKKWYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N5/c19-17-4-3-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-5-1-2-6-25/h3-4,7-10H,1-2,5-6,11-12H2.
What are the key properties of 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 377.83 g/mol, XLogP of 3.88, 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-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90289275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).