N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C18H25Cl2N5O2 — CID 119996921

About N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119996921) has the molecular formula C18H25Cl2N5O2 and a molecular weight of 414.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• PubChem CID: 119996921
• Molecular Formula: C18H25Cl2N5O2
• Molecular Weight: 414.34 g/mol
• Exact Mass: 413.14
• IUPAC Name: N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• SMILES: CC(CN)CNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.Cl.Cl
• InChI: InChI=1S/C18H23N5O2.2ClH/c1-11(2)23-17-14(10-21-23)13(18(24)20-9-12(3)8-19)7-15(22-17)16-5-4-6-25-16;;/h4-7,10-12H,8-9,19H2,1-3H3,(H,20,24);2*1H
• InChIKey: VZHUQKUXFNEFOO-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 98.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.34
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The IUPAC name of N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119996921) is N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The canonical SMILES for N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CC(CN)CNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.Cl.Cl.

What is the InChIKey of N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The InChIKey is VZHUQKUXFNEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.2ClH/c1-11(2)23-17-14(10-21-23)13(18(24)20-9-12(3)8-19)7-15(22-17)16-5-4-6-25-16;;/h4-7,10-12H,8-9,19H2,1-3H3,(H,20,24);2*1H.

What are the key properties of N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 414.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119996921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).