1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C24H19F2N5O3 — CID 68517044

About 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 68517044) has the molecular formula C24H19F2N5O3 and a molecular weight of 463.44 g/mol. Its IUPAC name is 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 68517044
• Molecular Formula: C24H19F2N5O3
• Molecular Weight: 463.44 g/mol
• Exact Mass: 463.15
• IUPAC Name: 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: Cn1cc2c(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3F)ccnc2n1
• InChI: InChI=1S/C24H19F2N5O3/c1-30-13-17-19(8-11-28-21(17)29-30)34-20-7-6-16(12-18(20)26)31(15-4-2-14(25)3-5-15)23(33)24(9-10-24)22(27)32/h2-8,11-13H,9-10H2,1H3,(H2,27,32)
• InChIKey: YJJCLKBBKPGEFH-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 103.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.44
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 68517044) is 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is Cn1cc2c(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3F)ccnc2n1.

What is the InChIKey of 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is YJJCLKBBKPGEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3/c1-30-13-17-19(8-11-28-21(17)29-30)34-20-7-6-16(12-18(20)26)31(15-4-2-14(25)3-5-15)23(33)24(9-10-24)22(27)32/h2-8,11-13H,9-10H2,1H3,(H2,27,32).

What are the key properties of 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 463.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[3-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 68517044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).