(2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one

C26H27FN8O2 — CID 166585324

IUPAC(2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1ncc(F)c([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc6ccccn6n5)c(C)nc4N3)C2)n1
InChIInChI=1S/C26H27FN8O2/c1-15(21-19(27)13-28-25(31-21)37-3)24(36)34-11-9-26(14-34)8-7-17-12-18(16(2)29-22(17)32-26)23-30-20-6-4-5-10-35(20)33-23/h4-6,10,12-13,15H,7-9,11,14H2,1-3H3,(H,29,32)/t15-,26+/m1/s1
InChIKeyCHYBFKKILXLJAI-WZQKQDCOSA-N
MW502.55 g/mol
LogP3.17
Rot. Bonds4

About (2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one

(2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (PubChem CID 166585324) has the molecular formula C26H27FN8O2 and a molecular weight of 502.55 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-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-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
PubChem CID166585324
Molecular FormulaC26H27FN8O2
Molecular Weight502.55 g/mol
Exact Mass502.22
IUPAC Name(2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1ncc(F)c([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc6ccccn6n5)c(C)nc4N3)C2)n1
InChIInChI=1S/C26H27FN8O2/c1-15(21-19(27)13-28-25(31-21)37-3)24(36)34-11-9-26(14-34)8-7-17-12-18(16(2)29-22(17)32-26)23-30-20-6-4-5-10-35(20)33-23/h4-6,10,12-13,15H,7-9,11,14H2,1-3H3,(H,29,32)/t15-,26+/m1/s1
InChIKeyCHYBFKKILXLJAI-WZQKQDCOSA-N
XLogP3.17
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-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-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-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-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (CID 166585324) is (2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-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-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-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-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is COc1ncc(F)c([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc6ccccn6n5)c(C)nc4N3)C2)n1.
What is the InChIKey of (2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The InChIKey is CHYBFKKILXLJAI-WZQKQDCOSA-N. The full InChI is InChI=1S/C26H27FN8O2/c1-15(21-19(27)13-28-25(31-21)37-3)24(36)34-11-9-26(14-34)8-7-17-12-18(16(2)29-22(17)32-26)23-30-20-6-4-5-10-35(20)33-23/h4-6,10,12-13,15H,7-9,11,14H2,1-3H3,(H,29,32)/t15-,26+/m1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
(2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one has a molecular weight of 502.55 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is sourced from PubChem (CID 166585324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).