9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

C26H27N5O — CID 11235631

IUPAC9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESCc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1
InChIInChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3
InChIKeyHWWJCYIYBBEGDP-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.26
Rot. Bonds6

About 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (PubChem CID 11235631) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.

Molecular Properties

Compound Name9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
PubChem CID11235631
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESCc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1
InChIInChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3
InChIKeyHWWJCYIYBBEGDP-UHFFFAOYSA-N
XLogP5.26
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11280507
3-methyl-5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2,4-oxadiazole
CID 11475165
6-(4-methylphenyl)-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11176956
3-benzyl-5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2,4-oxadiazole
CID 11397453
6-(3-methoxyphenyl)-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11441346
5-methyl-3-[6-[3-(6-methyl-2-pyridinyl)propoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
CID 18361840
(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol
CID 11483596
2-methyl-6-(3-propoxypropyl)pyridine
CID 23516888
3-methyl-5-[9-(pyridin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2,4-oxadiazole
CID 11429190
2-[[6-(5-methyl-1,2-oxazol-3-yl)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl]oxymethyl]benzonitrile
CID 18413895
N-[[6-[(3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[[3-(methoxymethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[(3-methylsulfanyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 162173813
3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11280077

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The IUPAC name of 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (CID 11235631) is 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.
What is the SMILES notation for 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The canonical SMILES for 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1.
What is the InChIKey of 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The InChIKey is HWWJCYIYBBEGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3.
What are the key properties of 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene has a molecular weight of 425.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-methyl-2-pyridinyl)propoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is sourced from PubChem (CID 11235631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).