(10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide

C25H19F4N3O4 — CID 155145723

IUPAC(10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
SMILESCOc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)[C@H]1CCc3c(F)cccc3N(C1)C2=O
InChIInChI=1S/C25H19F4N3O4/c1-36-23-21-25(35)32-10-13(5-6-14-17(27)3-2-4-20(14)32)31(21)11-16(22(23)33)24(34)30-9-15-18(28)7-12(26)8-19(15)29/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,30,34)/t13-/m0/s1
InChIKeyLWZRMSUBNDEHGI-ZDUSSCGKSA-N
MW501.44 g/mol
LogP3.49
Rot. Bonds4

About (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide

(10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide (PubChem CID 155145723) has the molecular formula C25H19F4N3O4 and a molecular weight of 501.44 g/mol. Its IUPAC name is (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide.

Molecular Properties

Compound Name(10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
PubChem CID155145723
Molecular FormulaC25H19F4N3O4
Molecular Weight501.44 g/mol
Exact Mass501.13
IUPAC Name(10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
SMILESCOc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)[C@H]1CCc3c(F)cccc3N(C1)C2=O
InChIInChI=1S/C25H19F4N3O4/c1-36-23-21-25(35)32-10-13(5-6-14-17(27)3-2-4-20(14)32)31(21)11-16(22(23)33)24(34)30-9-15-18(28)7-12(26)8-19(15)29/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,30,34)/t13-/m0/s1
InChIKeyLWZRMSUBNDEHGI-ZDUSSCGKSA-N
XLogP3.49
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?
The IUPAC name of (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide (CID 155145723) is (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide.
What is the SMILES notation for (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?
The canonical SMILES for (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide is COc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)[C@H]1CCc3c(F)cccc3N(C1)C2=O.
What is the InChIKey of (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?
The InChIKey is LWZRMSUBNDEHGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C25H19F4N3O4/c1-36-23-21-25(35)32-10-13(5-6-14-17(27)3-2-4-20(14)32)31(21)11-16(22(23)33)24(34)30-9-15-18(28)7-12(26)8-19(15)29/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,30,34)/t13-/m0/s1.
What are the key properties of (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?
(10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide has a molecular weight of 501.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-6-fluoro-15-methoxy-14,17-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide is sourced from PubChem (CID 155145723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).