N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C26H28F6N6O7 — CID 118253089

About N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118253089) has the molecular formula C26H28F6N6O7 and a molecular weight of 650.53 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118253089
• Molecular Formula: C26H28F6N6O7
• Molecular Weight: 650.53 g/mol
• Exact Mass: 650.19
• IUPAC Name: N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN1CCN(CCn2cc3cc(NC(=O)c4coc5c4C(=O)NCC5)ccc3n2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H26N6O3.2C2HF3O2/c1-26-6-8-27(9-7-26)10-11-28-13-15-12-16(2-3-18(15)25-28)24-21(29)17-14-31-19-4-5-23-22(30)20(17)19;2*3-2(4,5)1(6)7/h2-3,12-14H,4-11H2,1H3,(H,23,30)(H,24,29);2*(H,6,7)
• InChIKey: DXRFQLWNGUJLFK-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 170.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.53
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 118253089) is N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is CN1CCN(CCn2cc3cc(NC(=O)c4coc5c4C(=O)NCC5)ccc3n2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is DXRFQLWNGUJLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3.2C2HF3O2/c1-26-6-8-27(9-7-26)10-11-28-13-15-12-16(2-3-18(15)25-28)24-21(29)17-14-31-19-4-5-23-22(30)20(17)19;2*3-2(4,5)1(6)7/h2-3,12-14H,4-11H2,1H3,(H,23,30)(H,24,29);2*(H,6,7).

What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 650.53 g/mol, XLogP of 2.68, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118253089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).