1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C19H22N4O — CID 32753002

About 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 32753002) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 32753002
• Molecular Formula: C19H22N4O
• Molecular Weight: 322.41 g/mol
• Exact Mass: 322.18
• IUPAC Name: 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NC[C@H](C)c2ccccc2)c2c(C)nn(C)c2n1
• InChI: InChI=1S/C19H22N4O/c1-12(15-8-6-5-7-9-15)11-20-19(24)16-10-13(2)21-18-17(16)14(3)22-23(18)4/h5-10,12H,11H2,1-4H3,(H,20,24)/t12-/m0/s1
• InChIKey: SJRCVMLPAQZZLL-LBPRGKRZSA-N
• XLogP: 3.12
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.41
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 32753002) is 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC[C@H](C)c2ccccc2)c2c(C)nn(C)c2n1.

What is the InChIKey of 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is SJRCVMLPAQZZLL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(15-8-6-5-7-9-15)11-20-19(24)16-10-13(2)21-18-17(16)14(3)22-23(18)4/h5-10,12H,11H2,1-4H3,(H,20,24)/t12-/m0/s1.

What are the key properties of 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32753002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).