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;hydrochloride

C24H20ClF3N4O — CID 66608743

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;hydrochloride

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;hydrochloride (PubChem CID 66608743) has the molecular formula C24H20ClF3N4O and a molecular weight of 472.90 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;hydrochloride.

Molecular Properties

• Compound Name: 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;hydrochloride
• PubChem CID: 66608743
• Molecular Formula: C24H20ClF3N4O
• Molecular Weight: 472.90 g/mol
• Exact Mass: 472.13
• IUPAC Name: 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;hydrochloride
• SMILES: Cl.O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1
• InChI: InChI=1S/C24H19F3N4O.ClH/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;1H
• InChIKey: RYPKWUQMGYYNNJ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.90
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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;hydrochloride?

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;hydrochloride (CID 66608743) 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;hydrochloride.

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;hydrochloride?

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;hydrochloride is Cl.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;hydrochloride?

The InChIKey is RYPKWUQMGYYNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O.ClH/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;1H.

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;hydrochloride?

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;hydrochloride has a molecular weight of 472.90 g/mol, XLogP of 5.17, 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;hydrochloride is sourced from PubChem (CID 66608743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).