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

C20H27Cl2N5O2 — CID 119568202

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

N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119568202) has the molecular formula C20H27Cl2N5O2 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• PubChem CID: 119568202
• Molecular Formula: C20H27Cl2N5O2
• Molecular Weight: 440.38 g/mol
• Exact Mass: 439.15
• IUPAC Name: N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• SMILES: CC(C)n1ncc2c(C(=O)NC3(CN)CCCC3)cc(-c3ccco3)nc21.Cl.Cl
• InChI: InChI=1S/C20H25N5O2.2ClH/c1-13(2)25-18-15(11-22-25)14(10-16(23-18)17-6-5-9-27-17)19(26)24-20(12-21)7-3-4-8-20;;/h5-6,9-11,13H,3-4,7-8,12,21H2,1-2H3,(H,24,26);2*1H
• InChIKey: VFIWMKVJGFLXQT-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 98.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.38
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119568202) is N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

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

The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CC(C)n1ncc2c(C(=O)NC3(CN)CCCC3)cc(-c3ccco3)nc21.Cl.Cl.

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

The InChIKey is VFIWMKVJGFLXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.2ClH/c1-13(2)25-18-15(11-22-25)14(10-16(23-18)17-6-5-9-27-17)19(26)24-20(12-21)7-3-4-8-20;;/h5-6,9-11,13H,3-4,7-8,12,21H2,1-2H3,(H,24,26);2*1H.

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

N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 440.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119568202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).