2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol

C20H16N6O — CID 135652138

IUPAC2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol
SMILESCc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccccc4O)nc3c12
InChIInChI=1S/C20H16N6O/c1-12-13(2)26(14-6-5-9-21-10-14)19-17(12)20-23-18(24-25(20)11-22-19)15-7-3-4-8-16(15)27/h3-11,27H,1-2H3
InChIKeyPMEUVGVBZSYLBW-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.45
Rot. Bonds2

About 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol

2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol (PubChem CID 135652138) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol.

Molecular Properties

Compound Name2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol
PubChem CID135652138
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol
SMILESCc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccccc4O)nc3c12
InChIInChI=1S/C20H16N6O/c1-12-13(2)26(14-6-5-9-21-10-14)19-17(12)20-23-18(24-25(20)11-22-19)15-7-3-4-8-16(15)27/h3-11,27H,1-2H3
InChIKeyPMEUVGVBZSYLBW-UHFFFAOYSA-N
XLogP3.45
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol with MolForge

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Related Compounds

3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
3-(3-Hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226447
5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136
3-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880137
3-[7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880138
2-fluoro-5-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880217
Votoplam
CID 147894286
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
3-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11188787

Frequently Asked Questions

What is the IUPAC name of 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol?
The IUPAC name of 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol (CID 135652138) is 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol.
What is the SMILES notation for 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol?
The canonical SMILES for 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol is Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccccc4O)nc3c12.
What is the InChIKey of 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol?
The InChIKey is PMEUVGVBZSYLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-12-13(2)26(14-6-5-9-21-10-14)19-17(12)20-23-18(24-25(20)11-22-19)15-7-3-4-8-16(15)27/h3-11,27H,1-2H3.
What are the key properties of 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol?
2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol has a molecular weight of 356.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,12-dimethyl-10-pyridin-3-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)phenol is sourced from PubChem (CID 135652138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).