N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide

C24H21FN4O — CID 58919704

About N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide (PubChem CID 58919704) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
• PubChem CID: 58919704
• Molecular Formula: C24H21FN4O
• Molecular Weight: 400.46 g/mol
• Exact Mass: 400.17
• IUPAC Name: N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
• SMILES: Cc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ncc32)c1
• InChI: InChI=1S/C24H21FN4O/c1-14-4-3-5-19(8-14)29-23-13-26-22(11-17(23)12-27-29)20-9-16(10-21(25)15(20)2)24(30)28-18-6-7-18/h3-5,8-13,18H,6-7H2,1-2H3,(H,28,30)
• InChIKey: IRXOVBVMJTWNEL-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.46
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide?

The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide (CID 58919704) is N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide?

The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide is Cc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ncc32)c1.

What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide?

The InChIKey is IRXOVBVMJTWNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-14-4-3-5-19(8-14)29-23-13-26-22(11-17(23)12-27-29)20-9-16(10-21(25)15(20)2)24(30)28-18-6-7-18/h3-5,8-13,18H,6-7H2,1-2H3,(H,28,30).

What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide?

N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide has a molecular weight of 400.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide is sourced from PubChem (CID 58919704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).