10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene

C16H14N6O — CID 46199794

IUPAC10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
SMILESCOc1ccnc2c1nnc1c(C)nc(-c3cccnc3C)n12
InChIInChI=1S/C16H14N6O/c1-9-11(5-4-7-17-9)15-19-10(2)14-21-20-13-12(23-3)6-8-18-16(13)22(14)15/h4-8H,1-3H3
InChIKeyBEQMIMLEDMHHBZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.36
Rot. Bonds2

About 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene

10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene (PubChem CID 46199794) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene.

Molecular Properties

Compound Name10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
PubChem CID46199794
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
SMILESCOc1ccnc2c1nnc1c(C)nc(-c3cccnc3C)n12
InChIInChI=1S/C16H14N6O/c1-9-11(5-4-7-17-9)15-19-10(2)14-21-20-13-12(23-3)6-8-18-16(13)22(14)15/h4-8H,1-3H3
InChIKeyBEQMIMLEDMHHBZ-UHFFFAOYSA-N
XLogP2.36
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene with MolForge

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Related Compounds

7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
N-((6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45102733
N-((6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45487862
7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
CID 45487864
12-Methoxy-5-methyl-3-(4-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46198546
6-Fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46198694
12-Methoxy-3-(5-methoxy-3-pyridinyl)-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46199019
12-Methoxy-5-methyl-3-(5-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46199329
10-Methoxy-5-methyl-3-(4-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 46199795
10-Methoxy-5-methyl-3-(3-methyl-4-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 46199799
4-[6-Methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
CID 46200711

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The IUPAC name of 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene (CID 46199794) is 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene.
What is the SMILES notation for 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The canonical SMILES for 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene is COc1ccnc2c1nnc1c(C)nc(-c3cccnc3C)n12.
What is the InChIKey of 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The InChIKey is BEQMIMLEDMHHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-9-11(5-4-7-17-9)15-19-10(2)14-21-20-13-12(23-3)6-8-18-16(13)22(14)15/h4-8H,1-3H3.
What are the key properties of 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene has a molecular weight of 306.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene is sourced from PubChem (CID 46199794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).