6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C23H25N5OS — CID 51646868

About 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51646868) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 51646868
• Molecular Formula: C23H25N5OS
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.18
• IUPAC Name: 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1
• InChI: InChI=1S/C23H25N5OS/c1-13(2)28-22-19(12-25-28)18(11-21(27-22)17-10-14(3)30-16(17)5)23(29)26-15(4)20-8-6-7-9-24-20/h6-13,15H,1-5H3,(H,26,29)/t15-/m1/s1
• InChIKey: RSDCFEZMNOCWEU-OAHLLOKOSA-N
• XLogP: 5.24
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 51646868) is 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1.

What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is RSDCFEZMNOCWEU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-13(2)28-22-19(12-25-28)18(11-21(27-22)17-10-14(3)30-16(17)5)23(29)26-15(4)20-8-6-7-9-24-20/h6-13,15H,1-5H3,(H,26,29)/t15-/m1/s1.

What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51646868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).