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

C26H30FN5O2S — CID 166585422

IUPAC(2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C)c(C)s5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C26H30FN5O2S/c1-14(19-11-22(34-5)28-12-21(19)27)25(33)32-9-8-26(13-32)7-6-18-10-20(16(3)29-23(18)31-26)24-30-15(2)17(4)35-24/h10-12,14H,6-9,13H2,1-5H3,(H,29,31)/t14-,26+/m1/s1
InChIKeyOMVYNMNYLWLPNQ-PTFIGZPYSA-N
MW495.62 g/mol
LogP4.81
Rot. Bonds4

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

(2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one (PubChem CID 166585422) has the molecular formula C26H30FN5O2S and a molecular weight of 495.62 g/mol. Its IUPAC name is (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one
PubChem CID166585422
Molecular FormulaC26H30FN5O2S
Molecular Weight495.62 g/mol
Exact Mass495.21
IUPAC Name(2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C)c(C)s5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C26H30FN5O2S/c1-14(19-11-22(34-5)28-12-21(19)27)25(33)32-9-8-26(13-32)7-6-18-10-20(16(3)29-23(18)31-26)24-30-15(2)17(4)35-24/h10-12,14H,6-9,13H2,1-5H3,(H,29,31)/t14-,26+/m1/s1
InChIKeyOMVYNMNYLWLPNQ-PTFIGZPYSA-N
XLogP4.81
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one?
The IUPAC name of (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one (CID 166585422) is (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one?
The canonical SMILES for (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one is COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C)c(C)s5)c(C)nc4N3)C2)c(F)cn1.
What is the InChIKey of (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one?
The InChIKey is OMVYNMNYLWLPNQ-PTFIGZPYSA-N. The full InChI is InChI=1S/C26H30FN5O2S/c1-14(19-11-22(34-5)28-12-21(19)27)25(33)32-9-8-26(13-32)7-6-18-10-20(16(3)29-23(18)31-26)24-30-15(2)17(4)35-24/h10-12,14H,6-9,13H2,1-5H3,(H,29,31)/t14-,26+/m1/s1.
What are the key properties of (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one?
(2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one has a molecular weight of 495.62 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)propan-1-one is sourced from PubChem (CID 166585422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).