4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene

C26H24N4O2S — CID 139418861

IUPAC4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene
SMILESCc1cccc(-c2nn3c(c2-c2ccnc(-c4ccc(S(C)(=O)=O)cc4)c2)C2CCC3C2)n1
InChIInChI=1S/C26H24N4O2S/c1-16-4-3-5-22(28-16)25-24(26-19-6-9-20(14-19)30(26)29-25)18-12-13-27-23(15-18)17-7-10-21(11-8-17)33(2,31)32/h3-5,7-8,10-13,15,19-20H,6,9,14H2,1-2H3
InChIKeyHWCURDFICHRARR-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.21
Rot. Bonds4

About 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene

4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene (PubChem CID 139418861) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene
PubChem CID139418861
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene
SMILESCc1cccc(-c2nn3c(c2-c2ccnc(-c4ccc(S(C)(=O)=O)cc4)c2)C2CCC3C2)n1
InChIInChI=1S/C26H24N4O2S/c1-16-4-3-5-22(28-16)25-24(26-19-6-9-20(14-19)30(26)29-25)18-12-13-27-23(15-18)17-7-10-21(11-8-17)33(2,31)32/h3-5,7-8,10-13,15,19-20H,6,9,14H2,1-2H3
InChIKeyHWCURDFICHRARR-UHFFFAOYSA-N
XLogP5.21
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene 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

4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene;2-(4-methylsulfonylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158551384
2-methyl-6-[4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]pyridine;hydrochloride
CID 139451622
4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide
CID 162034650
4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide
CID 159800714
2-methyl-6-[4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrazol-3-yl]pyridine
CID 139451628
2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]-2-pyridinyl]amino]ethanol
CID 134439562
(1R)-4-(6-methyl-2-pyridinyl)-3-[2-(4-methylsulfinylphenyl)-4-pyridinyl]-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 134439691
1-[4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157103661
2-(1-cyclopropylpyrazol-3-yl)-3-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 146407897
3-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 66898587
ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine
CID 142321805
2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one
CID 143705945

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene?
The IUPAC name of 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene (CID 139418861) is 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene is Cc1cccc(-c2nn3c(c2-c2ccnc(-c4ccc(S(C)(=O)=O)cc4)c2)C2CCC3C2)n1.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene?
The InChIKey is HWCURDFICHRARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-16-4-3-5-22(28-16)25-24(26-19-6-9-20(14-19)30(26)29-25)18-12-13-27-23(15-18)17-7-10-21(11-8-17)33(2,31)32/h3-5,7-8,10-13,15,19-20H,6,9,14H2,1-2H3.
What are the key properties of 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene?
4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene has a molecular weight of 456.57 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene is sourced from PubChem (CID 139418861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).