N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C31H36FN7O4 — CID 71283168

About N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283168) has the molecular formula C31H36FN7O4 and a molecular weight of 589.67 g/mol. Its IUPAC name is N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71283168
• Molecular Formula: C31H36FN7O4
• Molecular Weight: 589.67 g/mol
• Exact Mass: 589.28
• IUPAC Name: N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC1(C)CCC(CNC(=O)c2ccc(F)c(NC(=O)c3cnc4cc(-c5cnn(CCN6CCOCC6)c5)ccn34)c2)O1
• InChI: InChI=1S/C31H36FN7O4/c1-31(2)7-5-24(43-31)18-34-29(40)22-3-4-25(32)26(15-22)36-30(41)27-19-33-28-16-21(6-8-39(27)28)23-17-35-38(20-23)10-9-37-11-13-42-14-12-37/h3-4,6,8,15-17,19-20,24H,5,7,9-14,18H2,1-2H3,(H,34,40)(H,36,41)
• InChIKey: AJFMCDDNMZDFPI-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 115.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.67
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71283168) is N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CC1(C)CCC(CNC(=O)c2ccc(F)c(NC(=O)c3cnc4cc(-c5cnn(CCN6CCOCC6)c5)ccn34)c2)O1.

What is the InChIKey of N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is AJFMCDDNMZDFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN7O4/c1-31(2)7-5-24(43-31)18-34-29(40)22-3-4-25(32)26(15-22)36-30(41)27-19-33-28-16-21(6-8-39(27)28)23-17-35-38(20-23)10-9-37-11-13-42-14-12-37/h3-4,6,8,15-17,19-20,24H,5,7,9-14,18H2,1-2H3,(H,34,40)(H,36,41).

What are the key properties of N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 589.67 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).