5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide

C27H25N7O2 — CID 137285568

About 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide

5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 137285568) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide
• PubChem CID: 137285568
• Molecular Formula: C27H25N7O2
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.21
• IUPAC Name: 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3OC)cc2)cn1
• InChI: InChI=1S/C27H25N7O2/c1-28-27(35)20-9-8-17(14-30-20)15-4-6-16(7-5-15)23-25(36-3)24(34(2)33-23)26-31-21-10-18-12-29-13-19(18)11-22(21)32-26/h4-11,14,29H,12-13H2,1-3H3,(H,28,35)(H,31,32)
• InChIKey: IMUIPMABEZXJAC-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 109.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide (CID 137285568) is 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3OC)cc2)cn1.

What is the InChIKey of 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide?

The InChIKey is IMUIPMABEZXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-28-27(35)20-9-8-17(14-30-20)15-4-6-16(7-5-15)23-25(36-3)24(34(2)33-23)26-31-21-10-18-12-29-13-19(18)11-22(21)32-26/h4-11,14,29H,12-13H2,1-3H3,(H,28,35)(H,31,32).

What are the key properties of 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide?

5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-methoxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 137285568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).