7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine

C25H30FN3O — CID 170737307

IUPAC7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(CCc4ccc(C)cc4)CC3)c2n1
InChIInChI=1S/C25H30FN3O/c1-18-3-5-19(6-4-18)7-8-20-11-14-29(15-12-20)16-13-21-22(26)17-27-23-9-10-24(30-2)28-25(21)23/h3-6,9-10,17,20H,7-8,11-16H2,1-2H3
InChIKeyJSIPUWVQBNWVLZ-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.97
Rot. Bonds7

About 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine

7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine (PubChem CID 170737307) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine
PubChem CID170737307
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(CCc4ccc(C)cc4)CC3)c2n1
InChIInChI=1S/C25H30FN3O/c1-18-3-5-19(6-4-18)7-8-20-11-14-29(15-12-20)16-13-21-22(26)17-27-23-9-10-24(30-2)28-25(21)23/h3-6,9-10,17,20H,7-8,11-16H2,1-2H3
InChIKeyJSIPUWVQBNWVLZ-UHFFFAOYSA-N
XLogP4.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine?
The IUPAC name of 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine (CID 170737307) is 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine.
What is the SMILES notation for 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine?
The canonical SMILES for 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine is COc1ccc2ncc(F)c(CCN3CCC(CCc4ccc(C)cc4)CC3)c2n1.
What is the InChIKey of 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine?
The InChIKey is JSIPUWVQBNWVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-18-3-5-19(6-4-18)7-8-20-11-14-29(15-12-20)16-13-21-22(26)17-27-23-9-10-24(30-2)28-25(21)23/h3-6,9-10,17,20H,7-8,11-16H2,1-2H3.
What are the key properties of 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine?
7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine has a molecular weight of 407.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine is sourced from PubChem (CID 170737307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).