6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H33N5O — CID 38600870

About 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 38600870) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 38600870
• Molecular Formula: C21H33N5O
• Molecular Weight: 371.53 g/mol
• Exact Mass: 371.27
• IUPAC Name: 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCN(CC)[C@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(C)C
• InChI: InChI=1S/C21H33N5O/c1-7-26(8-2)18(13(3)4)12-22-21(27)16-11-17(15-9-10-15)23-20-19(16)14(5)24-25(20)6/h11,13,15,18H,7-10,12H2,1-6H3,(H,22,27)/t18-/m1/s1
• InChIKey: BMBFDMVJNNAEMK-GOSISDBHSA-N
• XLogP: 3.25
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.53
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 38600870) is 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)[C@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(C)C.

What is the InChIKey of 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is BMBFDMVJNNAEMK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H33N5O/c1-7-26(8-2)18(13(3)4)12-22-21(27)16-11-17(15-9-10-15)23-20-19(16)14(5)24-25(20)6/h11,13,15,18H,7-10,12H2,1-6H3,(H,22,27)/t18-/m1/s1.

What are the key properties of 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38600870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).