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

C23H28N4O — CID 71007875

IUPAC2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol
SMILESCc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN2CCCC12
InChIInChI=1S/C23H28N4O/c1-15-11-18-21-19-5-4-9-26(19)10-8-20(21)27(22(18)25-12-15)14-23(3,28)17-7-6-16(2)24-13-17/h6-7,11-13,19,28H,4-5,8-10,14H2,1-3H3
InChIKeyVKEUQPPVGOUKIL-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.65
Rot. Bonds3

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

2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol (PubChem CID 71007875) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol
PubChem CID71007875
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol
SMILESCc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN2CCCC12
InChIInChI=1S/C23H28N4O/c1-15-11-18-21-19-5-4-9-26(19)10-8-20(21)27(22(18)25-12-15)14-23(3,28)17-7-6-16(2)24-13-17/h6-7,11-13,19,28H,4-5,8-10,14H2,1-3H3
InChIKeyVKEUQPPVGOUKIL-UHFFFAOYSA-N
XLogP3.65
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol (CID 71007875) is 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol is Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN2CCCC12.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol?
The InChIKey is VKEUQPPVGOUKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15-11-18-21-19-5-4-9-26(19)10-8-20(21)27(22(18)25-12-15)14-23(3,28)17-7-6-16(2)24-13-17/h6-7,11-13,19,28H,4-5,8-10,14H2,1-3H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol?
2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol has a molecular weight of 376.50 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol is sourced from PubChem (CID 71007875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).