15-[6-(difluoromethyl)-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

C24H20F2N6O2 — CID 155097620

IUPAC15-[6-(difluoromethyl)-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(C(F)F)nc3)cc21
InChIInChI=1S/C24H20F2N6O2/c25-22(26)19-8-7-16(12-27-19)15-5-6-17-13-34-10-2-9-32-14-28-31-23(32)20-3-1-4-21(29-20)30-24(33)18(17)11-15/h1,3-8,11-12,14,22H,2,9-10,13H2,(H,29,30,33)
InChIKeyRUBQITLGSZYXIH-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.51
Rot. Bonds2

About 15-[6-(difluoromethyl)-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-(difluoromethyl)-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 155097620) has the molecular formula C24H20F2N6O2 and a molecular weight of 462.46 g/mol. Its IUPAC name is 15-[6-(difluoromethyl)-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-(difluoromethyl)-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 CID155097620
Molecular FormulaC24H20F2N6O2
Molecular Weight462.46 g/mol
Exact Mass462.16
IUPAC Name15-[6-(difluoromethyl)-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(C(F)F)nc3)cc21
InChIInChI=1S/C24H20F2N6O2/c25-22(26)19-8-7-16(12-27-19)15-5-6-17-13-34-10-2-9-32-14-28-31-23(32)20-3-1-4-21(29-20)30-24(33)18(17)11-15/h1,3-8,11-12,14,22H,2,9-10,13H2,(H,29,30,33)
InChIKeyRUBQITLGSZYXIH-UHFFFAOYSA-N
XLogP4.51
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 15-[6-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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 155097620) is 15-[6-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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(C(F)F)nc3)cc21.
What is the InChIKey of 15-[6-(difluoromethyl)-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 RUBQITLGSZYXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O2/c25-22(26)19-8-7-16(12-27-19)15-5-6-17-13-34-10-2-9-32-14-28-31-23(32)20-3-1-4-21(29-20)30-24(33)18(17)11-15/h1,3-8,11-12,14,22H,2,9-10,13H2,(H,29,30,33).
What are the key properties of 15-[6-(difluoromethyl)-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-(difluoromethyl)-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 462.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[6-(difluoromethyl)-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 155097620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).