6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H21N5O4 — CID 55661429

About 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55661429) has the molecular formula C25H21N5O4 and a molecular weight of 455.47 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55661429
• Molecular Formula: C25H21N5O4
• Molecular Weight: 455.47 g/mol
• Exact Mass: 455.16
• IUPAC Name: 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccc(Oc2ncccc2NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1
• InChI: InChI=1S/C25H21N5O4/c1-15-22-18(14-20(21-7-5-13-33-21)27-23(22)30(2)29-15)24(31)28-19-6-4-12-26-25(19)34-17-10-8-16(32-3)9-11-17/h4-14H,1-3H3,(H,28,31)
• InChIKey: XBASGKWYEBPVKU-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 104.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.47
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55661429) is 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(Oc2ncccc2NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1.

What is the InChIKey of 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is XBASGKWYEBPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4/c1-15-22-18(14-20(21-7-5-13-33-21)27-23(22)30(2)29-15)24(31)28-19-6-4-12-26-25(19)34-17-10-8-16(32-3)9-11-17/h4-14H,1-3H3,(H,28,31).

What are the key properties of 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55661429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).