1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide

C27H29N5O2S — CID 55494119

About 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide

1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 55494119) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
• PubChem CID: 55494119
• Molecular Formula: C27H29N5O2S
• Molecular Weight: 487.63 g/mol
• Exact Mass: 487.20
• IUPAC Name: 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)N3CCCC(C(=O)Nc4ccccc4)C3)c3cnn(C(C)C)c3n2)s1
• InChI: InChI=1S/C27H29N5O2S/c1-17(2)32-25-22(15-28-32)21(14-23(30-25)24-12-11-18(3)35-24)27(34)31-13-7-8-19(16-31)26(33)29-20-9-5-4-6-10-20/h4-6,9-12,14-15,17,19H,7-8,13,16H2,1-3H3,(H,29,33)
• InChIKey: ZTEPURWLRLSNCW-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.63
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide?

The IUPAC name of 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide (CID 55494119) is 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide?

The canonical SMILES for 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCCC(C(=O)Nc4ccccc4)C3)c3cnn(C(C)C)c3n2)s1.

What is the InChIKey of 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide?

The InChIKey is ZTEPURWLRLSNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-17(2)32-25-22(15-28-32)21(14-23(30-25)24-12-11-18(3)35-24)27(34)31-13-7-8-19(16-31)26(33)29-20-9-5-4-6-10-20/h4-6,9-12,14-15,17,19H,7-8,13,16H2,1-3H3,(H,29,33).

What are the key properties of 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide?

1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 55494119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).