(6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione

C24H17F3N4O5 — CID 140712348

IUPAC(6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione
SMILESCc1cc(-c2c3nn4c2C(=O)N(c2ccc(C(F)(F)F)cc2)C(OC(=O)/C=C\C(=O)O3)[C@@H]4C)ccn1
InChIInChI=1S/C24H17F3N4O5/c1-12-11-14(9-10-28-12)19-20-22(34)30(16-5-3-15(4-6-16)24(25,26)27)23-13(2)31(20)29-21(19)35-17(32)7-8-18(33)36-23/h3-11,13,23H,1-2H3/b8-7-/t13-,23?/m0/s1
InChIKeyVOYSGDMBHAZDRZ-BPFZEKJMSA-N
MW498.42 g/mol
LogP3.84
Rot. Bonds2

About (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione

(6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione (PubChem CID 140712348) has the molecular formula C24H17F3N4O5 and a molecular weight of 498.42 g/mol. Its IUPAC name is (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione.

Molecular Properties

Compound Name(6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione
PubChem CID140712348
Molecular FormulaC24H17F3N4O5
Molecular Weight498.42 g/mol
Exact Mass498.12
IUPAC Name(6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione
SMILESCc1cc(-c2c3nn4c2C(=O)N(c2ccc(C(F)(F)F)cc2)C(OC(=O)/C=C\C(=O)O3)[C@@H]4C)ccn1
InChIInChI=1S/C24H17F3N4O5/c1-12-11-14(9-10-28-12)19-20-22(34)30(16-5-3-15(4-6-16)24(25,26)27)23-13(2)31(20)29-21(19)35-17(32)7-8-18(33)36-23/h3-11,13,23H,1-2H3/b8-7-/t13-,23?/m0/s1
InChIKeyVOYSGDMBHAZDRZ-BPFZEKJMSA-N
XLogP3.84
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione?
The IUPAC name of (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione (CID 140712348) is (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione.
What is the SMILES notation for (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione?
The canonical SMILES for (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione is Cc1cc(-c2c3nn4c2C(=O)N(c2ccc(C(F)(F)F)cc2)C(OC(=O)/C=C\C(=O)O3)[C@@H]4C)ccn1.
What is the InChIKey of (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione?
The InChIKey is VOYSGDMBHAZDRZ-BPFZEKJMSA-N. The full InChI is InChI=1S/C24H17F3N4O5/c1-12-11-14(9-10-28-12)19-20-22(34)30(16-5-3-15(4-6-16)24(25,26)27)23-13(2)31(20)29-21(19)35-17(32)7-8-18(33)36-23/h3-11,13,23H,1-2H3/b8-7-/t13-,23?/m0/s1.
What are the key properties of (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione?
(6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione has a molecular weight of 498.42 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,14S)-14-methyl-15-(2-methyl-4-pyridinyl)-11-[4-(trifluoromethyl)phenyl]-4,9-dioxa-1,2,11-triazatricyclo[8.3.1.13,13]pentadeca-2,6,13(15)-triene-5,8,12-trione is sourced from PubChem (CID 140712348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).