2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol

C20H23N5O — CID 118489656

IUPAC2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol
SMILESCc1cc2c3c(n(CC(O)c4cccnc4)c2nn1)CCN1CCCC31
InChIInChI=1S/C20H23N5O/c1-13-10-15-19-16-5-3-8-24(16)9-6-17(19)25(20(15)23-22-13)12-18(26)14-4-2-7-21-11-14/h2,4,7,10-11,16,18,26H,3,5-6,8-9,12H2,1H3
InChIKeyRVJGVUYRBJRWRZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.56
Rot. Bonds3

About 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol

2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol (PubChem CID 118489656) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol
PubChem CID118489656
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol
SMILESCc1cc2c3c(n(CC(O)c4cccnc4)c2nn1)CCN1CCCC31
InChIInChI=1S/C20H23N5O/c1-13-10-15-19-16-5-3-8-24(16)9-6-17(19)25(20(15)23-22-13)12-18(26)14-4-2-7-21-11-14/h2,4,7,10-11,16,18,26H,3,5-6,8-9,12H2,1H3
InChIKeyRVJGVUYRBJRWRZ-UHFFFAOYSA-N
XLogP2.56
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol (CID 118489656) is 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol is Cc1cc2c3c(n(CC(O)c4cccnc4)c2nn1)CCN1CCCC31.
What is the InChIKey of 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol?
The InChIKey is RVJGVUYRBJRWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-10-15-19-16-5-3-8-24(16)9-6-17(19)25(20(15)23-22-13)12-18(26)14-4-2-7-21-11-14/h2,4,7,10-11,16,18,26H,3,5-6,8-9,12H2,1H3.
What are the key properties of 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol?
2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol has a molecular weight of 349.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 118489656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).