2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid

C26H24F3N5O3 — CID 174684039

About 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid

2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 174684039) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 174684039
• Molecular Formula: C26H24F3N5O3
• Molecular Weight: 511.50 g/mol
• Exact Mass: 511.18
• IUPAC Name: 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: NC(=O)c1cccc2cn(-c3ccc(CN4CCC(c5ccccn5)C4)cc3)nc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H23N5O.C2HF3O2/c25-24(30)21-5-3-4-19-16-29(27-23(19)21)20-9-7-17(8-10-20)14-28-13-11-18(15-28)22-6-1-2-12-26-22;3-2(4,5)1(6)7/h1-10,12,16,18H,11,13-15H2,(H2,25,30);(H,6,7)
• InChIKey: CKLKXGBWPMIBKU-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 114.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.50
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid (CID 174684039) is 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1cccc2cn(-c3ccc(CN4CCC(c5ccccn5)C4)cc3)nc12.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is CKLKXGBWPMIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O.C2HF3O2/c25-24(30)21-5-3-4-19-16-29(27-23(19)21)20-9-7-17(8-10-20)14-28-13-11-18(15-28)22-6-1-2-12-26-22;3-2(4,5)1(6)7/h1-10,12,16,18H,11,13-15H2,(H2,25,30);(H,6,7).

What are the key properties of 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?

2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 511.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174684039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).