2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine

C24H18ClFN4O — CID 146662229

IUPAC2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine
SMILESC#Cc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C24H18ClFN4O/c1-2-15-11-22-21(27-13-15)9-8-20(28-22)18-14-30(23-5-3-4-10-31-23)29-24(18)17-12-16(25)6-7-19(17)26/h1,6-9,11-14,23H,3-5,10H2
InChIKeyLETZSFNUQUERSA-UHFFFAOYSA-N
MW432.89 g/mol
LogP5.63
Rot. Bonds3

About 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine

2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine (PubChem CID 146662229) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine.

Molecular Properties

Compound Name2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine
PubChem CID146662229
Molecular FormulaC24H18ClFN4O
Molecular Weight432.89 g/mol
Exact Mass432.12
IUPAC Name2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine
SMILESC#Cc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C24H18ClFN4O/c1-2-15-11-22-21(27-13-15)9-8-20(28-22)18-14-30(23-5-3-4-10-31-23)29-24(18)17-12-16(25)6-7-19(17)26/h1,6-9,11-14,23H,3-5,10H2
InChIKeyLETZSFNUQUERSA-UHFFFAOYSA-N
XLogP5.63
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine?
The IUPAC name of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine (CID 146662229) is 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine.
What is the SMILES notation for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine?
The canonical SMILES for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine is C#Cc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)ccc3F)nc2c1.
What is the InChIKey of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine?
The InChIKey is LETZSFNUQUERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c1-2-15-11-22-21(27-13-15)9-8-20(28-22)18-14-30(23-5-3-4-10-31-23)29-24(18)17-12-16(25)6-7-19(17)26/h1,6-9,11-14,23H,3-5,10H2.
What are the key properties of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine?
2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine has a molecular weight of 432.89 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine is sourced from PubChem (CID 146662229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).