N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

C33H33FN10O2 — CID 91334758

About N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide (PubChem CID 91334758) has the molecular formula C33H33FN10O2 and a molecular weight of 620.69 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
• PubChem CID: 91334758
• Molecular Formula: C33H33FN10O2
• Molecular Weight: 620.69 g/mol
• Exact Mass: 620.28
• IUPAC Name: N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
• SMILES: CC1CN(c2cnc(-c3ncccn3)cn2)CCN1C(=O)CN1CCC(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)C1
• InChI: InChI=1S/C33H33FN10O2/c1-21-18-43(29-17-37-28(16-38-29)32-35-10-2-11-36-32)13-14-44(21)30(45)20-42-12-9-23(19-42)33(46)39-25-7-8-27-26(15-25)31(41-40-27)22-3-5-24(34)6-4-22/h2-8,10-11,15-17,21,23H,9,12-14,18-20H2,1H3,(H,39,46)(H,40,41)
• InChIKey: DRGUHQMVYJIWCL-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 136.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.69
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide (CID 91334758) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide is CC1CN(c2cnc(-c3ncccn3)cn2)CCN1C(=O)CN1CCC(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)C1.

What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The InChIKey is DRGUHQMVYJIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN10O2/c1-21-18-43(29-17-37-28(16-38-29)32-35-10-2-11-36-32)13-14-44(21)30(45)20-42-12-9-23(19-42)33(46)39-25-7-8-27-26(15-25)31(41-40-27)22-3-5-24(34)6-4-22/h2-8,10-11,15-17,21,23H,9,12-14,18-20H2,1H3,(H,39,46)(H,40,41).

What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide has a molecular weight of 620.69 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[2-methyl-4-(5-pyrimidin-2-ylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91334758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).