(2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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

C27H31FN6O2 — CID 166585311

IUPAC(2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C)cc(C)n5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C27H31FN6O2/c1-15-10-16(2)31-25(30-15)21-11-19-6-7-27(33-24(19)32-18(21)4)8-9-34(14-27)26(35)17(3)20-12-23(36-5)29-13-22(20)28/h10-13,17H,6-9,14H2,1-5H3,(H,32,33)/t17-,27+/m1/s1
InChIKeyLTVWEINHDSETGF-CRYYWNKWSA-N
MW490.58 g/mol
LogP4.14
Rot. Bonds4

About (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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

(2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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 (PubChem CID 166585311) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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.

Molecular Properties

Compound Name(2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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
PubChem CID166585311
Molecular FormulaC27H31FN6O2
Molecular Weight490.58 g/mol
Exact Mass490.25
IUPAC Name(2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C)cc(C)n5)c(C)nc4N3)C2)c(F)cn1
InChIInChI=1S/C27H31FN6O2/c1-15-10-16(2)31-25(30-15)21-11-19-6-7-27(33-24(19)32-18(21)4)8-9-34(14-27)26(35)17(3)20-12-23(36-5)29-13-22(20)28/h10-13,17H,6-9,14H2,1-5H3,(H,32,33)/t17-,27+/m1/s1
InChIKeyLTVWEINHDSETGF-CRYYWNKWSA-N
XLogP4.14
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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?
The IUPAC name of (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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 166585311) is (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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.
What is the SMILES notation for (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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?
The canonical SMILES for (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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 is COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C)cc(C)n5)c(C)nc4N3)C2)c(F)cn1.
What is the InChIKey of (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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?
The InChIKey is LTVWEINHDSETGF-CRYYWNKWSA-N. The full InChI is InChI=1S/C27H31FN6O2/c1-15-10-16(2)31-25(30-15)21-11-19-6-7-27(33-24(19)32-18(21)4)8-9-34(14-27)26(35)17(3)20-12-23(36-5)29-13-22(20)28/h10-13,17H,6-9,14H2,1-5H3,(H,32,33)/t17-,27+/m1/s1.
What are the key properties of (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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?
(2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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 has a molecular weight of 490.58 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-6-(4,6-dimethylpyrimidin-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 is sourced from PubChem (CID 166585311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).