(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one

C30H30FN5O3 — CID 166585480

IUPAC(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5cccc(-c6cnco6)c5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C30H30FN5O3/c1-18(23-13-27(38-3)33-14-25(23)31)29(37)36-10-9-30(16-36)8-7-22-12-24(19(2)34-28(22)35-30)20-5-4-6-21(11-20)26-15-32-17-39-26/h4-6,11-15,17-18H,7-10,16H2,1-3H3,(H,34,35)/t18-,30+/m1/s1
InChIKeyYRROUWHMRGHCQZ-JJCDCTGGSA-N
MW527.60 g/mol
LogP5.39
Rot. Bonds5

About (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one

(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (PubChem CID 166585480) has the molecular formula C30H30FN5O3 and a molecular weight of 527.60 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
PubChem CID166585480
Molecular FormulaC30H30FN5O3
Molecular Weight527.60 g/mol
Exact Mass527.23
IUPAC Name(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5cccc(-c6cnco6)c5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C30H30FN5O3/c1-18(23-13-27(38-3)33-14-25(23)31)29(37)36-10-9-30(16-36)8-7-22-12-24(19(2)34-28(22)35-30)20-5-4-6-21(11-20)26-15-32-17-39-26/h4-6,11-15,17-18H,7-10,16H2,1-3H3,(H,34,35)/t18-,30+/m1/s1
InChIKeyYRROUWHMRGHCQZ-JJCDCTGGSA-N
XLogP5.39
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.60
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The IUPAC name of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (CID 166585480) is (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The canonical SMILES for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5cccc(-c6cnco6)c5)c(C)nc4N3)C2)c(F)cn1.
What is the InChIKey of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The InChIKey is YRROUWHMRGHCQZ-JJCDCTGGSA-N. The full InChI is InChI=1S/C30H30FN5O3/c1-18(23-13-27(38-3)33-14-25(23)31)29(37)36-10-9-30(16-36)8-7-22-12-24(19(2)34-28(22)35-30)20-5-4-6-21(11-20)26-15-32-17-39-26/h4-6,11-15,17-18H,7-10,16H2,1-3H3,(H,34,35)/t18-,30+/m1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one has a molecular weight of 527.60 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[3-(1,3-oxazol-5-yl)phenyl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is sourced from PubChem (CID 166585480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).