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4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene

C19H14N6O — CID 66887159

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene
SMILESCOc1ncccc1-c1nc2c([nH]1)-c1ccncc1Nc1ncccc1-2
InChIInChI=1S/C19H14N6O/c1-26-19-13(5-3-8-22-19)18-24-15-11-6-9-20-10-14(11)23-17-12(16(15)25-18)4-2-7-21-17/h2-10H,1H3,(H,21,23)(H,24,25)
InChIKeyBLPJDCVESVXEQZ-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.66
Rot. Bonds2

About 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene

4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene (PubChem CID 66887159) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene
PubChem CID66887159
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene
SMILESCOc1ncccc1-c1nc2c([nH]1)-c1ccncc1Nc1ncccc1-2
InChIInChI=1S/C19H14N6O/c1-26-19-13(5-3-8-22-19)18-24-15-11-6-9-20-10-14(11)23-17-12(16(15)25-18)4-2-7-21-17/h2-10H,1H3,(H,21,23)(H,24,25)
InChIKeyBLPJDCVESVXEQZ-UHFFFAOYSA-N
XLogP3.66
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene (CID 66887159) is 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene is COc1ncccc1-c1nc2c([nH]1)-c1ccncc1Nc1ncccc1-2.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene?
The InChIKey is BLPJDCVESVXEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c1-26-19-13(5-3-8-22-19)18-24-15-11-6-9-20-10-14(11)23-17-12(16(15)25-18)4-2-7-21-17/h2-10H,1H3,(H,21,23)(H,24,25).
What are the key properties of 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene?
4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene has a molecular weight of 342.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene is sourced from PubChem (CID 66887159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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