2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol

C24H26F3N3O — CID 51349180

IUPAC2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CC2CCC1N2C(F)(F)F
InChIInChI=1S/C24H26F3N3O/c1-14-4-8-19-18(10-14)22-20-9-7-17(30(20)24(25,26)27)11-21(22)29(19)13-23(3,31)16-6-5-15(2)28-12-16/h4-6,8,10,12,17,20,31H,7,9,11,13H2,1-3H3
InChIKeyGHZSGRIRKOIQQG-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.14
Rot. Bonds3

About 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol

2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol (PubChem CID 51349180) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol
PubChem CID51349180
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CC2CCC1N2C(F)(F)F
InChIInChI=1S/C24H26F3N3O/c1-14-4-8-19-18(10-14)22-20-9-7-17(30(20)24(25,26)27)11-21(22)29(19)13-23(3,31)16-6-5-15(2)28-12-16/h4-6,8,10,12,17,20,31H,7,9,11,13H2,1-3H3
InChIKeyGHZSGRIRKOIQQG-UHFFFAOYSA-N
XLogP5.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol (CID 51349180) is 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CC2CCC1N2C(F)(F)F.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol?
The InChIKey is GHZSGRIRKOIQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c1-14-4-8-19-18(10-14)22-20-9-7-17(30(20)24(25,26)27)11-21(22)29(19)13-23(3,31)16-6-5-15(2)28-12-16/h4-6,8,10,12,17,20,31H,7,9,11,13H2,1-3H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol?
2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol has a molecular weight of 429.49 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1-[5-methyl-15-(trifluoromethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl]propan-2-ol is sourced from PubChem (CID 51349180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).