methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate

C24H25FN6O3 — CID 156538411

IUPACmethyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate
SMILESCOC(=O)C(c1ccc(F)cn1)N1C[C@H](C)N(c2cc(=O)n(C)c3ccc(C#N)nc23)C[C@H]1C
InChIInChI=1S/C24H25FN6O3/c1-14-13-31(23(24(33)34-4)18-7-5-16(25)11-27-18)15(2)12-30(14)20-9-21(32)29(3)19-8-6-17(10-26)28-22(19)20/h5-9,11,14-15,23H,12-13H2,1-4H3/t14-,15+,23?/m0/s1
InChIKeyKXDZHRPGCSEMHG-KYFQQJHYSA-N
MW464.50 g/mol
LogP2.15
Rot. Bonds4

About methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate

methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate (PubChem CID 156538411) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate
PubChem CID156538411
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Namemethyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate
SMILESCOC(=O)C(c1ccc(F)cn1)N1C[C@H](C)N(c2cc(=O)n(C)c3ccc(C#N)nc23)C[C@H]1C
InChIInChI=1S/C24H25FN6O3/c1-14-13-31(23(24(33)34-4)18-7-5-16(25)11-27-18)15(2)12-30(14)20-9-21(32)29(3)19-8-6-17(10-26)28-22(19)20/h5-9,11,14-15,23H,12-13H2,1-4H3/t14-,15+,23?/m0/s1
InChIKeyKXDZHRPGCSEMHG-KYFQQJHYSA-N
XLogP2.15
TPSA104.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate?
The IUPAC name of methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate (CID 156538411) is methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate is COC(=O)C(c1ccc(F)cn1)N1C[C@H](C)N(c2cc(=O)n(C)c3ccc(C#N)nc23)C[C@H]1C.
What is the InChIKey of methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate?
The InChIKey is KXDZHRPGCSEMHG-KYFQQJHYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-14-13-31(23(24(33)34-4)18-7-5-16(25)11-27-18)15(2)12-30(14)20-9-21(32)29(3)19-8-6-17(10-26)28-22(19)20/h5-9,11,14-15,23H,12-13H2,1-4H3/t14-,15+,23?/m0/s1.
What are the key properties of methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate?
methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate has a molecular weight of 464.50 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,5S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]-2-(5-fluoro-2-pyridinyl)acetate is sourced from PubChem (CID 156538411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).