1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol

C22H26N4O — CID 71008096

IUPAC1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1ccc2c(n1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12
InChIInChI=1S/C22H26N4O/c1-15-7-8-19-21(24-15)20-17-6-4-11-25(17)12-9-18(20)26(19)14-22(2,27)16-5-3-10-23-13-16/h3,5,7-8,10,13,17,27H,4,6,9,11-12,14H2,1-2H3
InChIKeyHYJGQTWKSVKQMF-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.34
Rot. Bonds3

About 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol

1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 71008096) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID71008096
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1ccc2c(n1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12
InChIInChI=1S/C22H26N4O/c1-15-7-8-19-21(24-15)20-17-6-4-11-25(17)12-9-18(20)26(19)14-22(2,27)16-5-3-10-23-13-16/h3,5,7-8,10,13,17,27H,4,6,9,11-12,14H2,1-2H3
InChIKeyHYJGQTWKSVKQMF-UHFFFAOYSA-N
XLogP3.34
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol (CID 71008096) is 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol is Cc1ccc2c(n1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12.
What is the InChIKey of 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is HYJGQTWKSVKQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-7-8-19-21(24-15)20-17-6-4-11-25(17)12-9-18(20)26(19)14-22(2,27)16-5-3-10-23-13-16/h3,5,7-8,10,13,17,27H,4,6,9,11-12,14H2,1-2H3.
What are the key properties of 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol?
1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 362.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 71008096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).