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

C21H27FN4O2 — CID 166884257

IUPAC(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCC4=CC=C(C)NC4N3)C2)c(F)cn1
InChIInChI=1S/C21H27FN4O2/c1-13-4-5-15-6-7-21(25-19(15)24-13)8-9-26(12-21)20(27)14(2)16-10-18(28-3)23-11-17(16)22/h4-5,10-11,14,19,24-25H,6-9,12H2,1-3H3/t14-,19?,21+/m1/s1
InChIKeySMRCTJCNFRLUFU-NUOIPDLJSA-N
MW386.47 g/mol
LogP2.45
Rot. Bonds3

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

(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (PubChem CID 166884257) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
PubChem CID166884257
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCC4=CC=C(C)NC4N3)C2)c(F)cn1
InChIInChI=1S/C21H27FN4O2/c1-13-4-5-15-6-7-21(25-19(15)24-13)8-9-26(12-21)20(27)14(2)16-10-18(28-3)23-11-17(16)22/h4-5,10-11,14,19,24-25H,6-9,12H2,1-3H3/t14-,19?,21+/m1/s1
InChIKeySMRCTJCNFRLUFU-NUOIPDLJSA-N
XLogP2.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(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-(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
(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-(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-(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
2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one
CID 171632811
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(3R,4S)-3-methyl-4-[(6-methyl-5-pyrimidin-2-yl-2-pyridinyl)amino]pyrrolidin-1-yl]propan-1-one
CID 177305268
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(3S)-3-[[6-methyl-5-[1-(trideuteriomethyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 176509557
2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
CID 130560472
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The IUPAC name of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (CID 166884257) is (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The canonical SMILES for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCC4=CC=C(C)NC4N3)C2)c(F)cn1.
What is the InChIKey of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The InChIKey is SMRCTJCNFRLUFU-NUOIPDLJSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-13-4-5-15-6-7-21(25-19(15)24-13)8-9-26(12-21)20(27)14(2)16-10-18(28-3)23-11-17(16)22/h4-5,10-11,14,19,24-25H,6-9,12H2,1-3H3/t14-,19?,21+/m1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one has a molecular weight of 386.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methylspiro[3,4,8,8a-tetrahydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is sourced from PubChem (CID 166884257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).