1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol

C23H25F3N4O — CID 71007939

IUPAC1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCc1cnc2c(n1)c1c(n2CC(C)(O)c2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C23H25F3N4O/c1-14-12-27-21-20(28-14)19-17-4-3-10-29(17)11-9-18(19)30(21)13-22(2,31)15-5-7-16(8-6-15)23(24,25)26/h5-8,12,17,31H,3-4,9-11,13H2,1-2H3
InChIKeySOFOMXWAFZWVKA-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.36
Rot. Bonds3

About 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol

1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 71007939) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID71007939
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCc1cnc2c(n1)c1c(n2CC(C)(O)c2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C23H25F3N4O/c1-14-12-27-21-20(28-14)19-17-4-3-10-29(17)11-9-18(19)30(21)13-22(2,31)15-5-7-16(8-6-15)23(24,25)26/h5-8,12,17,31H,3-4,9-11,13H2,1-2H3
InChIKeySOFOMXWAFZWVKA-UHFFFAOYSA-N
XLogP4.36
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 71007939) is 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol is Cc1cnc2c(n1)c1c(n2CC(C)(O)c2ccc(C(F)(F)F)cc2)CCN2CCCC12.
What is the InChIKey of 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is SOFOMXWAFZWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-14-12-27-21-20(28-14)19-17-4-3-10-29(17)11-9-18(19)30(21)13-22(2,31)15-5-7-16(8-6-15)23(24,25)26/h5-8,12,17,31H,3-4,9-11,13H2,1-2H3.
What are the key properties of 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 430.47 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 71007939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).