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

C23H27FN4O2 — CID 71007631

IUPAC1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)Cn2c3c(c4nc(CF)ncc42)C2CCCN2CC3)cc1
InChIInChI=1S/C23H27FN4O2/c1-23(29,15-5-7-16(30-2)8-6-15)14-28-18-9-11-27-10-3-4-17(27)21(18)22-19(28)13-25-20(12-24)26-22/h5-8,13,17,29H,3-4,9-12,14H2,1-2H3
InChIKeyAEDNNLLRFJQQTH-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.51
Rot. Bonds5

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

1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol (PubChem CID 71007631) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol
PubChem CID71007631
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)Cn2c3c(c4nc(CF)ncc42)C2CCCN2CC3)cc1
InChIInChI=1S/C23H27FN4O2/c1-23(29,15-5-7-16(30-2)8-6-15)14-28-18-9-11-27-10-3-4-17(27)21(18)22-19(28)13-25-20(12-24)26-22/h5-8,13,17,29H,3-4,9-12,14H2,1-2H3
InChIKeyAEDNNLLRFJQQTH-UHFFFAOYSA-N
XLogP3.51
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol (CID 71007631) is 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol is COc1ccc(C(C)(O)Cn2c3c(c4nc(CF)ncc42)C2CCCN2CC3)cc1.
What is the InChIKey of 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol?
The InChIKey is AEDNNLLRFJQQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-23(29,15-5-7-16(30-2)8-6-15)14-28-18-9-11-27-10-3-4-17(27)21(18)22-19(28)13-25-20(12-24)26-22/h5-8,13,17,29H,3-4,9-12,14H2,1-2H3.
What are the key properties of 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol?
1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol has a molecular weight of 410.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 71007631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).