2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine

C23H21F2N5O — CID 159066259

IUPAC2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine
SMILESFc1cc(-n2cccn2)ccc1Cc1cc2nc(O[C@@H]3CCNC[C@@H]3F)ccc2cn1
InChIInChI=1S/C23H21F2N5O/c24-19-12-18(30-9-1-7-28-30)4-2-15(19)10-17-11-21-16(13-27-17)3-5-23(29-21)31-22-6-8-26-14-20(22)25/h1-5,7,9,11-13,20,22,26H,6,8,10,14H2/t20-,22+/m0/s1
InChIKeyJZBXXCOSUGJJHR-RBBKRZOGSA-N
MW421.45 g/mol
LogP3.62
Rot. Bonds5

About 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine

2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine (PubChem CID 159066259) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine
PubChem CID159066259
Molecular FormulaC23H21F2N5O
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC Name2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine
SMILESFc1cc(-n2cccn2)ccc1Cc1cc2nc(O[C@@H]3CCNC[C@@H]3F)ccc2cn1
InChIInChI=1S/C23H21F2N5O/c24-19-12-18(30-9-1-7-28-30)4-2-15(19)10-17-11-21-16(13-27-17)3-5-23(29-21)31-22-6-8-26-14-20(22)25/h1-5,7,9,11-13,20,22,26H,6,8,10,14H2/t20-,22+/m0/s1
InChIKeyJZBXXCOSUGJJHR-RBBKRZOGSA-N
XLogP3.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine?
The IUPAC name of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine (CID 159066259) is 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine.
What is the SMILES notation for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine?
The canonical SMILES for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine is Fc1cc(-n2cccn2)ccc1Cc1cc2nc(O[C@@H]3CCNC[C@@H]3F)ccc2cn1.
What is the InChIKey of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine?
The InChIKey is JZBXXCOSUGJJHR-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H21F2N5O/c24-19-12-18(30-9-1-7-28-30)4-2-15(19)10-17-11-21-16(13-27-17)3-5-23(29-21)31-22-6-8-26-14-20(22)25/h1-5,7,9,11-13,20,22,26H,6,8,10,14H2/t20-,22+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine?
2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine has a molecular weight of 421.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine is sourced from PubChem (CID 159066259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).