1-(9,15-diazatetracyclo[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

C24H19F3N4O — CID 50903069

IUPAC1-(9,15-diazatetracyclo[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
SMILESO=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)21-6-1-14(12-28-21)13-7-8-31(22(32)9-13)16-3-4-17-19(11-16)30-20-10-15-2-5-18(29-15)23(17)20/h1,3-4,6-9,11-12,15,18,29-30H,2,5,10H2
InChIKeyRWSRFWUAVDKPJQ-UHFFFAOYSA-N
MW436.44 g/mol
LogP4.75
Rot. Bonds2

About 1-(9,15-diazatetracyclo[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-(9,15-diazatetracyclo[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 50903069) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 1-(9,15-diazatetracyclo[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-(9,15-diazatetracyclo[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 CID50903069
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name1-(9,15-diazatetracyclo[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
SMILESO=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)21-6-1-14(12-28-21)13-7-8-31(22(32)9-13)16-3-4-17-19(11-16)30-20-10-15-2-5-18(29-15)23(17)20/h1,3-4,6-9,11-12,15,18,29-30H,2,5,10H2
InChIKeyRWSRFWUAVDKPJQ-UHFFFAOYSA-N
XLogP4.75
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(9,15-diazatetracyclo[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-(9,15-diazatetracyclo[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-(9,15-diazatetracyclo[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 50903069) is 1-(9,15-diazatetracyclo[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-(9,15-diazatetracyclo[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-(9,15-diazatetracyclo[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 O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1.
What is the InChIKey of 1-(9,15-diazatetracyclo[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 RWSRFWUAVDKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c25-24(26,27)21-6-1-14(12-28-21)13-7-8-31(22(32)9-13)16-3-4-17-19(11-16)30-20-10-15-2-5-18(29-15)23(17)20/h1,3-4,6-9,11-12,15,18,29-30H,2,5,10H2.
What are the key properties of 1-(9,15-diazatetracyclo[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-(9,15-diazatetracyclo[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 436.44 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,15-diazatetracyclo[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 50903069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).