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

C25H25F4N5O2S — CID 166585376

IUPAC(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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(-c5nc(C(F)(F)F)cs5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C25H25F4N5O2S/c1-13(16-9-20(36-3)30-10-18(16)26)23(35)34-7-6-24(12-34)5-4-15-8-17(14(2)31-21(15)33-24)22-32-19(11-37-22)25(27,28)29/h8-11,13H,4-7,12H2,1-3H3,(H,31,33)/t13-,24+/m1/s1
InChIKeyWFLWLBKFXPHCDU-OZAJXLCCSA-N
MW535.57 g/mol
LogP5.21
Rot. Bonds4

About (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (PubChem CID 166585376) has the molecular formula C25H25F4N5O2S and a molecular weight of 535.57 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
PubChem CID166585376
Molecular FormulaC25H25F4N5O2S
Molecular Weight535.57 g/mol
Exact Mass535.17
IUPAC Name(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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(-c5nc(C(F)(F)F)cs5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C25H25F4N5O2S/c1-13(16-9-20(36-3)30-10-18(16)26)23(35)34-7-6-24(12-34)5-4-15-8-17(14(2)31-21(15)33-24)22-32-19(11-37-22)25(27,28)29/h8-11,13H,4-7,12H2,1-3H3,(H,31,33)/t13-,24+/m1/s1
InChIKeyWFLWLBKFXPHCDU-OZAJXLCCSA-N
XLogP5.21
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (CID 166585376) is (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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(-c5nc(C(F)(F)F)cs5)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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The InChIKey is WFLWLBKFXPHCDU-OZAJXLCCSA-N. The full InChI is InChI=1S/C25H25F4N5O2S/c1-13(16-9-20(36-3)30-10-18(16)26)23(35)34-7-6-24(12-34)5-4-15-8-17(14(2)31-21(15)33-24)22-32-19(11-37-22)25(27,28)29/h8-11,13H,4-7,12H2,1-3H3,(H,31,33)/t13-,24+/m1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one has a molecular weight of 535.57 g/mol, XLogP of 5.21, 4 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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is sourced from PubChem (CID 166585376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).