N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide

C32H25BrFN9O2 — CID 166352779

About N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 166352779) has the molecular formula C32H25BrFN9O2 and a molecular weight of 666.52 g/mol. Its IUPAC name is N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
• PubChem CID: 166352779
• Molecular Formula: C32H25BrFN9O2
• Molecular Weight: 666.52 g/mol
• Exact Mass: 665.13
• IUPAC Name: N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
• SMILES: Cc1nn(-c2ccccn2)c2ncc(C(=O)Nc3ccc(F)c(-c4cn(C5CCCN(c6ccc(Br)cc6)C5=O)nn4)c3)cc12
• InChI: InChI=1S/C32H25BrFN9O2/c1-19-24-15-20(17-36-30(24)43(39-19)29-6-2-3-13-35-29)31(44)37-22-9-12-26(34)25(16-22)27-18-42(40-38-27)28-5-4-14-41(32(28)45)23-10-7-21(33)8-11-23/h2-3,6-13,15-18,28H,4-5,14H2,1H3,(H,37,44)
• InChIKey: QVOAMJOLNPIYRH-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 123.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.52
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 166352779) is N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccn2)c2ncc(C(=O)Nc3ccc(F)c(-c4cn(C5CCCN(c6ccc(Br)cc6)C5=O)nn4)c3)cc12.

What is the InChIKey of N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide?

The InChIKey is QVOAMJOLNPIYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25BrFN9O2/c1-19-24-15-20(17-36-30(24)43(39-19)29-6-2-3-13-35-29)31(44)37-22-9-12-26(34)25(16-22)27-18-42(40-38-27)28-5-4-14-41(32(28)45)23-10-7-21(33)8-11-23/h2-3,6-13,15-18,28H,4-5,14H2,1H3,(H,37,44).

What are the key properties of N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide?

N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 666.52 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]triazol-4-yl]-4-fluorophenyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166352779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).