15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C24H19F3N6O2 — CID 155097609

IUPAC15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3ccc(C(F)(F)F)nc3)cc21
InChIInChI=1S/C24H19F3N6O2/c25-24(26,27)20-9-7-16(13-28-20)15-6-8-19-17(12-15)23(34)31-21-5-3-4-18(30-21)22-32-29-14-33(22)10-1-2-11-35-19/h3-9,12-14H,1-2,10-11H2,(H,30,31,34)
InChIKeyITKKDXWKZRQPQA-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.85
Rot. Bonds1

About 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 155097609) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID155097609
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3ccc(C(F)(F)F)nc3)cc21
InChIInChI=1S/C24H19F3N6O2/c25-24(26,27)20-9-7-16(13-28-20)15-6-8-19-17(12-15)23(34)31-21-5-3-4-18(30-21)22-32-29-14-33(22)10-1-2-11-35-19/h3-9,12-14H,1-2,10-11H2,(H,30,31,34)
InChIKeyITKKDXWKZRQPQA-UHFFFAOYSA-N
XLogP4.85
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 155097609) is 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3ccc(C(F)(F)F)nc3)cc21.
What is the InChIKey of 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is ITKKDXWKZRQPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c25-24(26,27)20-9-7-16(13-28-20)15-6-8-19-17(12-15)23(34)31-21-5-3-4-18(30-21)22-32-29-14-33(22)10-1-2-11-35-19/h3-9,12-14H,1-2,10-11H2,(H,30,31,34).
What are the key properties of 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 480.45 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[6-(trifluoromethyl)-3-pyridinyl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 155097609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).