1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide

C20H25N5O2 — CID 157016422

About 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide

1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 157016422) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide
• PubChem CID: 157016422
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide
• SMILES: Cc1cc(C)c2c(NC(=O)C3CCCN(Cc4ccco4)C3)nn(C)c2n1
• InChI: InChI=1S/C20H25N5O2/c1-13-10-14(2)21-19-17(13)18(23-24(19)3)22-20(26)15-6-4-8-25(11-15)12-16-7-5-9-27-16/h5,7,9-10,15H,4,6,8,11-12H2,1-3H3,(H,22,23,26)
• InChIKey: YWNQHGMJAHTNGG-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide?

The IUPAC name of 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide (CID 157016422) is 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide is Cc1cc(C)c2c(NC(=O)C3CCCN(Cc4ccco4)C3)nn(C)c2n1.

What is the InChIKey of 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide?

The InChIKey is YWNQHGMJAHTNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-10-14(2)21-19-17(13)18(23-24(19)3)22-20(26)15-6-4-8-25(11-15)12-16-7-5-9-27-16/h5,7,9-10,15H,4,6,8,11-12H2,1-3H3,(H,22,23,26).

What are the key properties of 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide?

1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 157016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).