5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine

C24H20ClF2N3O — CID 165124020

IUPAC5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine
SMILESCN1CCC[C@H]1COc1cc(Cl)c2cc(F)c(-c3cccc4cccc(F)c34)nc2n1
InChIInChI=1S/C24H20ClF2N3O/c1-30-10-4-7-15(30)13-31-21-12-18(25)17-11-20(27)23(29-24(17)28-21)16-8-2-5-14-6-3-9-19(26)22(14)16/h2-3,5-6,8-9,11-12,15H,4,7,10,13H2,1H3/t15-/m0/s1
InChIKeyDUQOEBOWMXIVEX-HNNXBMFYSA-N
MW439.89 g/mol
LogP5.85
Rot. Bonds4

About 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine

5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine (PubChem CID 165124020) has the molecular formula C24H20ClF2N3O and a molecular weight of 439.89 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine
PubChem CID165124020
Molecular FormulaC24H20ClF2N3O
Molecular Weight439.89 g/mol
Exact Mass439.13
IUPAC Name5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine
SMILESCN1CCC[C@H]1COc1cc(Cl)c2cc(F)c(-c3cccc4cccc(F)c34)nc2n1
InChIInChI=1S/C24H20ClF2N3O/c1-30-10-4-7-15(30)13-31-21-12-18(25)17-11-20(27)23(29-24(17)28-21)16-8-2-5-14-6-3-9-19(26)22(14)16/h2-3,5-6,8-9,11-12,15H,4,7,10,13H2,1H3/t15-/m0/s1
InChIKeyDUQOEBOWMXIVEX-HNNXBMFYSA-N
XLogP5.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.89
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10208019, Example 12A-11
CID 139208663
2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine
CID 56592560
2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine
CID 56592650
2-(5-Chloro-2-fluorophenyl)-4-[1-(2-pyrrolidin-1-ylethoxy)-2,7-naphthyridin-4-yl]-1,8-naphthyridine
CID 56592808
2-(5-Chloro-2-fluorophenyl)-4-[8-(2-pyrrolidin-1-ylethoxy)isoquinolin-5-yl]-1,8-naphthyridine
CID 56592810
N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]ethyl]-N-ethylpropan-1-amine
CID 68264745
2-(5-Chloro-2-fluorophenyl)-4-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
CID 68264749
2-(5-Chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
CID 68265045
N-[(1E,3E)-2-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-[4-(2-morpholin-4-ylethoxy)phenyl]penta-1,3-dienyl]methanimine
CID 134188692
1-[(3R)-4-[7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 165124016
5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine
CID 165124036
3-fluoro-2-(8-fluoronaphthalen-1-yl)-5-[(2R)-2-methylpiperazin-1-yl]-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine
CID 165124039

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine (CID 165124020) is 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine is CN1CCC[C@H]1COc1cc(Cl)c2cc(F)c(-c3cccc4cccc(F)c34)nc2n1.
What is the InChIKey of 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine?
The InChIKey is DUQOEBOWMXIVEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O/c1-30-10-4-7-15(30)13-31-21-12-18(25)17-11-20(27)23(29-24(17)28-21)16-8-2-5-14-6-3-9-19(26)22(14)16/h2-3,5-6,8-9,11-12,15H,4,7,10,13H2,1H3/t15-/m0/s1.
What are the key properties of 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine?
5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine has a molecular weight of 439.89 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(8-fluoronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine is sourced from PubChem (CID 165124020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).