3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide

C26H24F2N4O2 — CID 171106931

About 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide

3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide (PubChem CID 171106931) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide
• PubChem CID: 171106931
• Molecular Formula: C26H24F2N4O2
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.19
• IUPAC Name: 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide
• SMILES: Cc1ncc(C(C)N(C)C(=O)c2cc(F)c(-c3cccc(F)c3)c(OC3CC3)c2)c2[nH]ncc12
• InChI: InChI=1S/C26H24F2N4O2/c1-14-20-13-30-31-25(20)21(12-29-14)15(2)32(3)26(33)17-10-22(28)24(16-5-4-6-18(27)9-16)23(11-17)34-19-7-8-19/h4-6,9-13,15,19H,7-8H2,1-3H3,(H,30,31)
• InChIKey: MXWXZMKLZNTEIY-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide?

The IUPAC name of 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide (CID 171106931) is 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide.

What is the SMILES notation for 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide?

The canonical SMILES for 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide is Cc1ncc(C(C)N(C)C(=O)c2cc(F)c(-c3cccc(F)c3)c(OC3CC3)c2)c2[nH]ncc12.

What is the InChIKey of 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide?

The InChIKey is MXWXZMKLZNTEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-14-20-13-30-31-25(20)21(12-29-14)15(2)32(3)26(33)17-10-22(28)24(16-5-4-6-18(27)9-16)23(11-17)34-19-7-8-19/h4-6,9-13,15,19H,7-8H2,1-3H3,(H,30,31).

What are the key properties of 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide?

3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide has a molecular weight of 462.50 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide is sourced from PubChem (CID 171106931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).