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

C25H26F2N6O2 — CID 166585289

IUPAC(2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1cc([C@](C)(F)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C25H26F2N6O2/c1-15-17(22-28-8-4-9-29-22)11-16-5-6-25(32-21(16)31-15)7-10-33(14-25)23(34)24(2,27)18-12-20(35-3)30-13-19(18)26/h4,8-9,11-13H,5-7,10,14H2,1-3H3,(H,31,32)/t24-,25-/m0/s1
InChIKeyNYYMHQUPQJAFAQ-DQEYMECFSA-N
MW480.52 g/mol
LogP3.60
Rot. Bonds4

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

(2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (PubChem CID 166585289) has the molecular formula C25H26F2N6O2 and a molecular weight of 480.52 g/mol. Its IUPAC name is (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
PubChem CID166585289
Molecular FormulaC25H26F2N6O2
Molecular Weight480.52 g/mol
Exact Mass480.21
IUPAC Name(2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1cc([C@](C)(F)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C25H26F2N6O2/c1-15-17(22-28-8-4-9-29-22)11-16-5-6-25(32-21(16)31-15)7-10-33(14-25)23(34)24(2,27)18-12-20(35-3)30-13-19(18)26/h4,8-9,11-13H,5-7,10,14H2,1-3H3,(H,31,32)/t24-,25-/m0/s1
InChIKeyNYYMHQUPQJAFAQ-DQEYMECFSA-N
XLogP3.60
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[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 (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The IUPAC name of (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (CID 166585289) is (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.
What is the SMILES notation for (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The canonical SMILES for (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is COc1cc([C@](C)(F)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c(F)cn1.
What is the InChIKey of (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The InChIKey is NYYMHQUPQJAFAQ-DQEYMECFSA-N. The full InChI is InChI=1S/C25H26F2N6O2/c1-15-17(22-28-8-4-9-29-22)11-16-5-6-25(32-21(16)31-15)7-10-33(14-25)23(34)24(2,27)18-12-20(35-3)30-13-19(18)26/h4,8-9,11-13H,5-7,10,14H2,1-3H3,(H,31,32)/t24-,25-/m0/s1.
What are the key properties of (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
(2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one has a molecular weight of 480.52 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is sourced from PubChem (CID 166585289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).