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

C31H35N5O6 — CID 137413277

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

N-[4-[2-carbamoyl-5-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137413277) has the molecular formula C31H35N5O6 and a molecular weight of 573.65 g/mol. Its IUPAC name is N-[4-[2-carbamoyl-5-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-carbamoyl-5-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 137413277
• Molecular Formula: C31H35N5O6
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.26
• IUPAC Name: N-[4-[2-carbamoyl-5-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1cccc(-c2ccc(C(N)=O)c(OC3CCC(NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)CC3)c2)n1
• InChI: InChI=1S/C31H35N5O6/c1-31(2,39)18-41-22-12-14-26-24(16-33-36(26)17-22)30(38)34-20-8-10-21(11-9-20)42-27-15-19(7-13-23(27)29(32)37)25-5-4-6-28(35-25)40-3/h4-7,12-17,20-21,39H,8-11,18H2,1-3H3,(H2,32,37)(H,34,38)
• InChIKey: HODHQHOJMLTXRP-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 150.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-carbamoyl-5-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 137413277) is N-[4-[2-carbamoyl-5-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[2-carbamoyl-5-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is COc1cccc(-c2ccc(C(N)=O)c(OC3CCC(NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)CC3)c2)n1.

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

The InChIKey is HODHQHOJMLTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O6/c1-31(2,39)18-41-22-12-14-26-24(16-33-36(26)17-22)30(38)34-20-8-10-21(11-9-20)42-27-15-19(7-13-23(27)29(32)37)25-5-4-6-28(35-25)40-3/h4-7,12-17,20-21,39H,8-11,18H2,1-3H3,(H2,32,37)(H,34,38).

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

N-[4-[2-carbamoyl-5-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 573.65 g/mol, XLogP of 3.77, 10 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-(6-methoxy-2-pyridinyl)phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137413277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).