1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

C24H20F3N5O — CID 50902183

IUPAC1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)C1CCC(C2)N1
InChIInChI=1S/C24H20F3N5O/c1-31-18-11-15-3-5-17(29-15)22(18)16-4-7-20(30-23(16)31)32-9-8-13(10-21(32)33)14-2-6-19(28-12-14)24(25,26)27/h2,4,6-10,12,15,17,29H,3,5,11H2,1H3
InChIKeyJSKSHENVZVESEE-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.15
Rot. Bonds2

About 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (PubChem CID 50902183) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
PubChem CID50902183
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)C1CCC(C2)N1
InChIInChI=1S/C24H20F3N5O/c1-31-18-11-15-3-5-17(29-15)22(18)16-4-7-20(30-23(16)31)32-9-8-13(10-21(32)33)14-2-6-19(28-12-14)24(25,26)27/h2,4,6-10,12,15,17,29H,3,5,11H2,1H3
InChIKeyJSKSHENVZVESEE-UHFFFAOYSA-N
XLogP4.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (CID 50902183) is 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)C1CCC(C2)N1.
What is the InChIKey of 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The InChIKey is JSKSHENVZVESEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-31-18-11-15-3-5-17(29-15)22(18)16-4-7-20(30-23(16)31)32-9-8-13(10-21(32)33)14-2-6-19(28-12-14)24(25,26)27/h2,4,6-10,12,15,17,29H,3,5,11H2,1H3.
What are the key properties of 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one has a molecular weight of 451.45 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 50902183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).