5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine

C21H20ClF2N3O2 — CID 165124036

IUPAC5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine
SMILESCOc1cccc(F)c1-c1nc2nc(OC[C@@H]3CCCN3C)cc(Cl)c2cc1F
InChIInChI=1S/C21H20ClF2N3O2/c1-27-8-4-5-12(27)11-29-18-10-14(22)13-9-16(24)20(26-21(13)25-18)19-15(23)6-3-7-17(19)28-2/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3/t12-/m0/s1
InChIKeyIPQXYJYURZDVKS-LBPRGKRZSA-N
MW419.86 g/mol
LogP4.71
Rot. Bonds5

About 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine

5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine (PubChem CID 165124036) has the molecular formula C21H20ClF2N3O2 and a molecular weight of 419.86 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine
PubChem CID165124036
Molecular FormulaC21H20ClF2N3O2
Molecular Weight419.86 g/mol
Exact Mass419.12
IUPAC Name5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine
SMILESCOc1cccc(F)c1-c1nc2nc(OC[C@@H]3CCCN3C)cc(Cl)c2cc1F
InChIInChI=1S/C21H20ClF2N3O2/c1-27-8-4-5-12(27)11-29-18-10-14(22)13-9-16(24)20(26-21(13)25-18)19-15(23)6-3-7-17(19)28-2/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3/t12-/m0/s1
InChIKeyIPQXYJYURZDVKS-LBPRGKRZSA-N
XLogP4.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine (CID 165124036) is 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine is COc1cccc(F)c1-c1nc2nc(OC[C@@H]3CCCN3C)cc(Cl)c2cc1F.
What is the InChIKey of 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine?
The InChIKey is IPQXYJYURZDVKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H20ClF2N3O2/c1-27-8-4-5-12(27)11-29-18-10-14(22)13-9-16(24)20(26-21(13)25-18)19-15(23)6-3-7-17(19)28-2/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine?
5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine has a molecular weight of 419.86 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,8-naphthyridine is sourced from PubChem (CID 165124036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).