(7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone

C25H25N5O — CID 153470488

IUPAC(7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone
SMILESCc1cc(C(=O)N2C3CCCC2c2nn(C)c(-c4ccccc4)c2C3)cc2cn[nH]c12
InChIInChI=1S/C25H25N5O/c1-15-11-17(12-18-14-26-27-22(15)18)25(31)30-19-9-6-10-21(30)23-20(13-19)24(29(2)28-23)16-7-4-3-5-8-16/h3-5,7-8,11-12,14,19,21H,6,9-10,13H2,1-2H3,(H,26,27)
InChIKeySUMLJNNGEBCOKU-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.56
Rot. Bonds2

About (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone

(7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone (PubChem CID 153470488) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone.

Molecular Properties

Compound Name(7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone
PubChem CID153470488
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name(7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone
SMILESCc1cc(C(=O)N2C3CCCC2c2nn(C)c(-c4ccccc4)c2C3)cc2cn[nH]c12
InChIInChI=1S/C25H25N5O/c1-15-11-17(12-18-14-26-27-22(15)18)25(31)30-19-9-6-10-21(30)23-20(13-19)24(29(2)28-23)16-7-4-3-5-8-16/h3-5,7-8,11-12,14,19,21H,6,9-10,13H2,1-2H3,(H,26,27)
InChIKeySUMLJNNGEBCOKU-UHFFFAOYSA-N
XLogP4.56
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone with MolForge

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Related Compounds

[2-(5-chloro-1H-1,2,4-triazol-3-yl)phenyl]-[5-(3,5-difluorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 153470506
[(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
CID 146454777
[5-(3-chlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-(1-pyridin-2-yl-1,2,4-triazol-3-yl)methanone
CID 153470628
[(1S,8R)-5-(3,5-difluorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 146455172
(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146455023
(3-fluoro-5-pyrazol-1-ylphenyl)-[(1R,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 159467122
[3-methyl-2-(triazol-2-yl)phenyl]-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146480391
(2,7-dimethylimidazo[1,2-b]pyridazin-3-yl)-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146454964
[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-pyrazolo[1,5-a]pyridin-5-ylmethanone
CID 146480432
(2-methylimidazo[1,2-a]pyridin-3-yl)-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
CID 146455284
[(1S,8R)-5-(3-chlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-[2-chloro-5-(1,2,4-triazol-4-yl)phenyl]methanone
CID 146455070
[3-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146454976

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone?
The IUPAC name of (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone (CID 153470488) is (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone.
What is the SMILES notation for (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone?
The canonical SMILES for (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone is Cc1cc(C(=O)N2C3CCCC2c2nn(C)c(-c4ccccc4)c2C3)cc2cn[nH]c12.
What is the InChIKey of (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone?
The InChIKey is SUMLJNNGEBCOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-15-11-17(12-18-14-26-27-22(15)18)25(31)30-19-9-6-10-21(30)23-20(13-19)24(29(2)28-23)16-7-4-3-5-8-16/h3-5,7-8,11-12,14,19,21H,6,9-10,13H2,1-2H3,(H,26,27).
What are the key properties of (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone?
(7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone has a molecular weight of 411.51 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1H-indazol-5-yl)-(4-methyl-5-phenyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl)methanone is sourced from PubChem (CID 153470488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).