6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H29N5O3 — CID 55979218

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

6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55979218) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55979218
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: 6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccccc1CN1CCC(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)CC1
• InChI: InChI=1S/C26H29N5O3/c1-17-24-20(15-21(23-9-6-14-34-23)28-25(24)30(2)29-17)26(32)27-19-10-12-31(13-11-19)16-18-7-4-5-8-22(18)33-3/h4-9,14-15,19H,10-13,16H2,1-3H3,(H,27,32)
• InChIKey: SSNBXVCIFOLNCL-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 85.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55979218) is 6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1CN1CCC(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)CC1.

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

The InChIKey is SSNBXVCIFOLNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17-24-20(15-21(23-9-6-14-34-23)28-25(24)30(2)29-17)26(32)27-19-10-12-31(13-11-19)16-18-7-4-5-8-22(18)33-3/h4-9,14-15,19H,10-13,16H2,1-3H3,(H,27,32).

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

6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55979218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).