6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H29N5O — CID 41131764

About 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 41131764) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 41131764
• Molecular Formula: C23H29N5O
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.24
• IUPAC Name: 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc(C3CC3)nc21
• InChI: InChI=1S/C23H29N5O/c1-15(2)28-22-19(13-25-28)18(12-20(26-22)16-10-11-16)23(29)24-14-21(27(3)4)17-8-6-5-7-9-17/h5-9,12-13,15-16,21H,10-11,14H2,1-4H3,(H,24,29)/t21-/m0/s1
• InChIKey: LQRFBWGVBQQVRJ-NRFANRHFSA-N
• XLogP: 3.92
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 41131764) is 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc(C3CC3)nc21.

What is the InChIKey of 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is LQRFBWGVBQQVRJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15(2)28-22-19(13-25-28)18(12-20(26-22)16-10-11-16)23(29)24-14-21(27(3)4)17-8-6-5-7-9-17/h5-9,12-13,15-16,21H,10-11,14H2,1-4H3,(H,24,29)/t21-/m0/s1.

What are the key properties of 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 41131764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).