(2S)-2-(3-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

C25H27FN6O2 — CID 166585318

IUPAC(2S)-2-(3-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
SMILESCOc1nccc([C@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c1F
InChIInChI=1S/C25H27FN6O2/c1-15(18-6-11-29-23(34-3)20(18)26)24(33)32-12-8-25(14-32)7-5-17-13-19(16(2)30-21(17)31-25)22-27-9-4-10-28-22/h4,6,9-11,13,15H,5,7-8,12,14H2,1-3H3,(H,30,31)/t15-,25-/m0/s1
InChIKeyDWNRCYZLAWMBDG-MQNRADLISA-N
MW462.53 g/mol
LogP3.52
Rot. Bonds4

About (2S)-2-(3-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-(3-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 166585318) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is (2S)-2-(3-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-(3-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 CID166585318
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name(2S)-2-(3-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
SMILESCOc1nccc([C@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c1F
InChIInChI=1S/C25H27FN6O2/c1-15(18-6-11-29-23(34-3)20(18)26)24(33)32-12-8-25(14-32)7-5-17-13-19(16(2)30-21(17)31-25)22-27-9-4-10-28-22/h4,6,9-11,13,15H,5,7-8,12,14H2,1-3H3,(H,30,31)/t15-,25-/m0/s1
InChIKeyDWNRCYZLAWMBDG-MQNRADLISA-N
XLogP3.52
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-(3-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-(3-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-(3-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 166585318) is (2S)-2-(3-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-(3-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-(3-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 COc1nccc([C@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c1F.
What is the InChIKey of (2S)-2-(3-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 DWNRCYZLAWMBDG-MQNRADLISA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-15(18-6-11-29-23(34-3)20(18)26)24(33)32-12-8-25(14-32)7-5-17-13-19(16(2)30-21(17)31-25)22-27-9-4-10-28-22/h4,6,9-11,13,15H,5,7-8,12,14H2,1-3H3,(H,30,31)/t15-,25-/m0/s1.
What are the key properties of (2S)-2-(3-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-(3-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 462.53 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-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 166585318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).