N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

C28H33FN4O5 — CID 137413364

About N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137413364) has the molecular formula C28H33FN4O5 and a molecular weight of 524.59 g/mol. Its IUPAC name is N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 137413364
• Molecular Formula: C28H33FN4O5
• Molecular Weight: 524.59 g/mol
• Exact Mass: 524.24
• IUPAC Name: N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(C)(O)COc1ccc2c(C(=O)NC3CCC(Oc4ccc(F)cc4C(N)=O)CC3)cnn2c1C1CC1
• InChI: InChI=1S/C28H33FN4O5/c1-28(2,36)15-37-24-12-10-22-21(14-31-33(22)25(24)16-3-4-16)27(35)32-18-6-8-19(9-7-18)38-23-11-5-17(29)13-20(23)26(30)34/h5,10-14,16,18-19,36H,3-4,6-9,15H2,1-2H3,(H2,30,34)(H,32,35)
• InChIKey: FHNOZEYSNROCGF-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 128.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.59
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 137413364) is N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(O)COc1ccc2c(C(=O)NC3CCC(Oc4ccc(F)cc4C(N)=O)CC3)cnn2c1C1CC1.

What is the InChIKey of N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is FHNOZEYSNROCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O5/c1-28(2,36)15-37-24-12-10-22-21(14-31-33(22)25(24)16-3-4-16)27(35)32-18-6-8-19(9-7-18)38-23-11-5-17(29)13-20(23)26(30)34/h5,10-14,16,18-19,36H,3-4,6-9,15H2,1-2H3,(H2,30,34)(H,32,35).

What are the key properties of N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 524.59 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-carbamoyl-4-fluorophenoxy)cyclohexyl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137413364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).