N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C22H29Cl2N5O2 — CID 119421790

About N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119421790) has the molecular formula C22H29Cl2N5O2 and a molecular weight of 466.41 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• PubChem CID: 119421790
• Molecular Formula: C22H29Cl2N5O2
• Molecular Weight: 466.41 g/mol
• Exact Mass: 465.17
• IUPAC Name: N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• SMILES: COc1ccc(N)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1.Cl.Cl
• InChI: InChI=1S/C22H27N5O2.2ClH/c1-12-19-15(21(28)25-18-10-14(29-5)8-9-16(18)23)11-17(13-6-7-13)24-20(19)27(26-12)22(2,3)4;;/h8-11,13H,6-7,23H2,1-5H3,(H,25,28);2*1H
• InChIKey: TUVWEGIOHIBWEU-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.41
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The IUPAC name of N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119421790) is N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The canonical SMILES for N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is COc1ccc(N)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1.Cl.Cl.

What is the InChIKey of N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The InChIKey is TUVWEGIOHIBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2.2ClH/c1-12-19-15(21(28)25-18-10-14(29-5)8-9-16(18)23)11-17(13-6-7-13)24-20(19)27(26-12)22(2,3)4;;/h8-11,13H,6-7,23H2,1-5H3,(H,25,28);2*1H.

What are the key properties of N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 466.41 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119421790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).