15-[6-(fluoromethyl)-3-pyridinyl]-10-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

C24H21FN6O2 — CID 155097515

IUPAC15-[6-(fluoromethyl)-3-pyridinyl]-10-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)-c2nncn2CCCOCc2ccc(-c3ccc(CF)nc3)cc21
InChIInChI=1S/C24H21FN6O2/c25-12-19-8-7-17(13-26-19)16-5-6-18-14-33-10-2-9-31-15-27-30-23(31)21-3-1-4-22(28-21)29-24(32)20(18)11-16/h1,3-8,11,13,15H,2,9-10,12,14H2,(H,28,29,32)
InChIKeyFVFWSXPHSUBTNZ-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.04
Rot. Bonds2

About 15-[6-(fluoromethyl)-3-pyridinyl]-10-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-(fluoromethyl)-3-pyridinyl]-10-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 155097515) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 15-[6-(fluoromethyl)-3-pyridinyl]-10-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-(fluoromethyl)-3-pyridinyl]-10-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 CID155097515
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name15-[6-(fluoromethyl)-3-pyridinyl]-10-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)-c2nncn2CCCOCc2ccc(-c3ccc(CF)nc3)cc21
InChIInChI=1S/C24H21FN6O2/c25-12-19-8-7-17(13-26-19)16-5-6-18-14-33-10-2-9-31-15-27-30-23(31)21-3-1-4-22(28-21)29-24(32)20(18)11-16/h1,3-8,11,13,15H,2,9-10,12,14H2,(H,28,29,32)
InChIKeyFVFWSXPHSUBTNZ-UHFFFAOYSA-N
XLogP4.04
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 15-[6-(fluoromethyl)-3-pyridinyl]-10-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-(fluoromethyl)-3-pyridinyl]-10-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-(fluoromethyl)-3-pyridinyl]-10-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 155097515) is 15-[6-(fluoromethyl)-3-pyridinyl]-10-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-(fluoromethyl)-3-pyridinyl]-10-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-(fluoromethyl)-3-pyridinyl]-10-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)-c2nncn2CCCOCc2ccc(-c3ccc(CF)nc3)cc21.
What is the InChIKey of 15-[6-(fluoromethyl)-3-pyridinyl]-10-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 FVFWSXPHSUBTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c25-12-19-8-7-17(13-26-19)16-5-6-18-14-33-10-2-9-31-15-27-30-23(31)21-3-1-4-22(28-21)29-24(32)20(18)11-16/h1,3-8,11,13,15H,2,9-10,12,14H2,(H,28,29,32).
What are the key properties of 15-[6-(fluoromethyl)-3-pyridinyl]-10-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-(fluoromethyl)-3-pyridinyl]-10-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 444.47 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[6-(fluoromethyl)-3-pyridinyl]-10-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 155097515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).