14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one

C24H20F2N6O2 — CID 138459257

IUPAC14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
SMILESCC1CCOc2ccc(-c3ccc(C(F)F)nc3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C24H20F2N6O2/c1-14-9-10-34-20-8-6-15(16-5-7-18(22(25)26)27-12-16)11-17(20)24(33)30-21-4-2-3-19(29-21)23-31-28-13-32(14)23/h2-8,11-14,22H,9-10H2,1H3,(H,29,30,33)
InChIKeyAMUWYWZLEKWONW-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.94
Rot. Bonds2

About 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one

14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one (PubChem CID 138459257) has the molecular formula C24H20F2N6O2 and a molecular weight of 462.46 g/mol. Its IUPAC name is 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one.

Molecular Properties

Compound Name14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
PubChem CID138459257
Molecular FormulaC24H20F2N6O2
Molecular Weight462.46 g/mol
Exact Mass462.16
IUPAC Name14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
SMILESCC1CCOc2ccc(-c3ccc(C(F)F)nc3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C24H20F2N6O2/c1-14-9-10-34-20-8-6-15(16-5-7-18(22(25)26)27-12-16)11-17(20)24(33)30-21-4-2-3-19(29-21)23-31-28-13-32(14)23/h2-8,11-14,22H,9-10H2,1H3,(H,29,30,33)
InChIKeyAMUWYWZLEKWONW-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The IUPAC name of 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one (CID 138459257) is 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one.
What is the SMILES notation for 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The canonical SMILES for 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one is CC1CCOc2ccc(-c3ccc(C(F)F)nc3)cc2C(=O)Nc2cccc(n2)-c2nncn21.
What is the InChIKey of 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The InChIKey is AMUWYWZLEKWONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O2/c1-14-9-10-34-20-8-6-15(16-5-7-18(22(25)26)27-12-16)11-17(20)24(33)30-21-4-2-3-19(29-21)23-31-28-13-32(14)23/h2-8,11-14,22H,9-10H2,1H3,(H,29,30,33).
What are the key properties of 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one has a molecular weight of 462.46 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-(difluoromethyl)-3-pyridinyl]-7-methyl-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one is sourced from PubChem (CID 138459257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).