(2S)-2-fluoro-2-(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 166585603

IUPAC(2S)-2-fluoro-2-(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)ccn1
InChIInChI=1S/C25H27FN6O2/c1-16-19(22-28-9-4-10-29-22)13-17-5-7-25(31-21(17)30-16)8-12-32(15-25)23(33)24(2,26)18-6-11-27-20(14-18)34-3/h4,6,9-11,13-14H,5,7-8,12,15H2,1-3H3,(H,30,31)/t24-,25-/m0/s1
InChIKeyFGYZBMFSZLIWRE-DQEYMECFSA-N
MW462.53 g/mol
LogP3.46
Rot. Bonds4

About (2S)-2-fluoro-2-(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-(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 166585603) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is (2S)-2-fluoro-2-(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-(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 CID166585603
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name(2S)-2-fluoro-2-(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)ccn1
InChIInChI=1S/C25H27FN6O2/c1-16-19(22-28-9-4-10-29-22)13-17-5-7-25(31-21(17)30-16)8-12-32(15-25)23(33)24(2,26)18-6-11-27-20(14-18)34-3/h4,6,9-11,13-14H,5,7-8,12,15H2,1-3H3,(H,30,31)/t24-,25-/m0/s1
InChIKeyFGYZBMFSZLIWRE-DQEYMECFSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-fluoro-2-(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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Related Compounds

2-fluoro-2-(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 166884218
(2R)-2-(2-methoxy-5-methyl-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 166585450
(2R)-2-(4-hydroxyphenyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166884232
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-6-(5-fluoropyrimidin-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585375
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(1,3-thiazol-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585411
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-6-(6-methoxypyrazin-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585558
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(2-methyl-1,3-thiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585600
(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
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585488
[(7S)-2-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[6,8-dihydro-5H-1,8-naphthyridine-7,3'-pyrrolidine]-3-yl]boronic acid
CID 166585401
(7R)-1'-[(2S)-2-(6-methoxy-2-methylpyrimidin-4-yl)propanoyl]-2-methyl-N'-(methylamino)spiro[6,8-dihydro-5H-1,8-naphthyridine-7,3'-pyrrolidine]-3-carboximidamide
CID 166884228
1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one
CID 176883015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2-(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-(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 166585603) is (2S)-2-fluoro-2-(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-(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-(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)ccn1.
What is the InChIKey of (2S)-2-fluoro-2-(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 FGYZBMFSZLIWRE-DQEYMECFSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-16-19(22-28-9-4-10-29-22)13-17-5-7-25(31-21(17)30-16)8-12-32(15-25)23(33)24(2,26)18-6-11-27-20(14-18)34-3/h4,6,9-11,13-14H,5,7-8,12,15H2,1-3H3,(H,30,31)/t24-,25-/m0/s1.
What are the key properties of (2S)-2-fluoro-2-(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-(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 3.46, 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-(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 166585603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).