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

C29H32N6O5 — CID 137413516

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

N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137413516) has the molecular formula C29H32N6O5 and a molecular weight of 544.61 g/mol. Its IUPAC name is N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 137413516
• Molecular Formula: C29H32N6O5
• Molecular Weight: 544.61 g/mol
• Exact Mass: 544.24
• IUPAC Name: N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(C)(O)COc1ccc2c(C(=O)NC3CCC(Oc4cc(-c5ncccn5)ccc4C(N)=O)CC3)cnn2c1
• InChI: InChI=1S/C29H32N6O5/c1-29(2,38)17-39-21-9-11-24-23(15-33-35(24)16-21)28(37)34-19-5-7-20(8-6-19)40-25-14-18(4-10-22(25)26(30)36)27-31-12-3-13-32-27/h3-4,9-16,19-20,38H,5-8,17H2,1-2H3,(H2,30,36)(H,34,37)
• InChIKey: QXMYJKMIHRLAFO-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 153.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.61
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 137413516) is N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(O)COc1ccc2c(C(=O)NC3CCC(Oc4cc(-c5ncccn5)ccc4C(N)=O)CC3)cnn2c1.

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

The InChIKey is QXMYJKMIHRLAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O5/c1-29(2,38)17-39-21-9-11-24-23(15-33-35(24)16-21)28(37)34-19-5-7-20(8-6-19)40-25-14-18(4-10-22(25)26(30)36)27-31-12-3-13-32-27/h3-4,9-16,19-20,38H,5-8,17H2,1-2H3,(H2,30,36)(H,34,37).

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

N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 544.61 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-carbamoyl-5-pyrimidin-2-ylphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137413516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).