N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one

C46H39F5N14O5 — CID 143835056

IUPACN-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one
SMILESCc1cc(-c2cc(F)c3nnc(C(C)n4ccc5ncc(OCC(F)(F)F)cc5c4=O)n3c2)on1.[H]/N=C(/CN(C=O)/C=C\c1ncc(-c2cnn(C)c2)cc1C)n1cc(-c2cc(C)no2)cc(F)/c1=N\[H]
InChIInChI=1S/C24H23FN8O2.C22H16F4N6O3/c1-15-6-17(19-10-29-31(3)11-19)9-28-21(15)4-5-32(14-34)13-23(26)33-12-18(8-20(25)24(33)27)22-7-16(2)30-35-22;1-11-5-18(35-30-11)13-6-16(23)20-29-28-19(32(20)9-13)12(2)31-4-3-17-15(21(31)33)7-14(8-27-17)34-10-22(24,25)26/h4-12,14,26-27H,13H2,1-3H3;3-9,12H,10H2,1-2H3/b5-4-,26-23-,27-24+;
InChIKeyRWAYNUHTWORCSI-NOJQTKAMSA-N
MW962.90 g/mol
LogP7.22
Rot. Bonds12

About N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one

N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one (PubChem CID 143835056) has the molecular formula C46H39F5N14O5 and a molecular weight of 962.90 g/mol. Its IUPAC name is N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one.

Molecular Properties

Compound NameN-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one
PubChem CID143835056
Molecular FormulaC46H39F5N14O5
Molecular Weight962.90 g/mol
Exact Mass962.31
IUPAC NameN-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one
SMILESCc1cc(-c2cc(F)c3nnc(C(C)n4ccc5ncc(OCC(F)(F)F)cc5c4=O)n3c2)on1.[H]/N=C(/CN(C=O)/C=C\c1ncc(-c2cnn(C)c2)cc1C)n1cc(-c2cc(C)no2)cc(F)/c1=N\[H]
InChIInChI=1S/C24H23FN8O2.C22H16F4N6O3/c1-15-6-17(19-10-29-31(3)11-19)9-28-21(15)4-5-32(14-34)13-23(26)33-12-18(8-20(25)24(33)27)22-7-16(2)30-35-22;1-11-5-18(35-30-11)13-6-16(23)20-29-28-19(32(20)9-13)12(2)31-4-3-17-15(21(31)33)7-14(8-27-17)34-10-22(24,25)26/h4-12,14,26-27H,13H2,1-3H3;3-9,12H,10H2,1-2H3/b5-4-,26-23-,27-24+;
InChIKeyRWAYNUHTWORCSI-NOJQTKAMSA-N
XLogP7.22
TPSA230.02 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500962.90
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one with MolForge

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Related Compounds

Amg-337
CID 44181686
6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
CID 44179999
6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
CID 44181688
6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
CID 44180001
3-(2-methoxyethoxy)-6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 44180247
3-(2-methoxyethoxy)-6-[(1R)-1-[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 58015489
6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one
CID 44129674
6-[(1S)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
CID 44180000
6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
CID 44180002
6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one
CID 44180126
5-[8-fluoro-3-[(1R)-1-[3-(2-methoxyethoxy)-5H-1,6-naphthyridin-6-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole
CID 44181573
6-[(1S)-1-[8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one
CID 44181687

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one?
The IUPAC name of N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one (CID 143835056) is N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one.
What is the SMILES notation for N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one?
The canonical SMILES for N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one is Cc1cc(-c2cc(F)c3nnc(C(C)n4ccc5ncc(OCC(F)(F)F)cc5c4=O)n3c2)on1.[H]/N=C(/CN(C=O)/C=C\c1ncc(-c2cnn(C)c2)cc1C)n1cc(-c2cc(C)no2)cc(F)/c1=N\[H].
What is the InChIKey of N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one?
The InChIKey is RWAYNUHTWORCSI-NOJQTKAMSA-N. The full InChI is InChI=1S/C24H23FN8O2.C22H16F4N6O3/c1-15-6-17(19-10-29-31(3)11-19)9-28-21(15)4-5-32(14-34)13-23(26)33-12-18(8-20(25)24(33)27)22-7-16(2)30-35-22;1-11-5-18(35-30-11)13-6-16(23)20-29-28-19(32(20)9-13)12(2)31-4-3-17-15(21(31)33)7-14(8-27-17)34-10-22(24,25)26/h4-12,14,26-27H,13H2,1-3H3;3-9,12H,10H2,1-2H3/b5-4-,26-23-,27-24+;.
What are the key properties of N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one?
N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one has a molecular weight of 962.90 g/mol, XLogP of 7.22, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-2-imino-5-(3-methyl-1,2-oxazol-5-yl)-1-pyridinyl]-2-iminoethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide;6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one is sourced from PubChem (CID 143835056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).