2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine

C25H20FN5O — CID 118375226

IUPAC2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1
InChIInChI=1S/C25H20FN5O/c26-11-15-31-16-22(18-9-13-27-14-10-18)25(30-31)19-3-6-21(7-4-19)32-17-20-5-8-23-24(29-20)2-1-12-28-23/h1-10,12-14,16H,11,15,17H2
InChIKeyZINBLJWELHIVQA-UHFFFAOYSA-N
MW425.47 g/mol
LogP5.10
Rot. Bonds7

About 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine

2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine (PubChem CID 118375226) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine
PubChem CID118375226
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1
InChIInChI=1S/C25H20FN5O/c26-11-15-31-16-22(18-9-13-27-14-10-18)25(30-31)19-3-6-21(7-4-19)32-17-20-5-8-23-24(29-20)2-1-12-28-23/h1-10,12-14,16H,11,15,17H2
InChIKeyZINBLJWELHIVQA-UHFFFAOYSA-N
XLogP5.10
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine?
The IUPAC name of 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine (CID 118375226) is 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine.
What is the SMILES notation for 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine?
The canonical SMILES for 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine is FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1.
What is the InChIKey of 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine?
The InChIKey is ZINBLJWELHIVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c26-11-15-31-16-22(18-9-13-27-14-10-18)25(30-31)19-3-6-21(7-4-19)32-17-20-5-8-23-24(29-20)2-1-12-28-23/h1-10,12-14,16H,11,15,17H2.
What are the key properties of 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine?
2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine has a molecular weight of 425.47 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-1,5-naphthyridine is sourced from PubChem (CID 118375226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).