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

C33H46N6O5 — CID 137413593

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

N-[4-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137413593) has the molecular formula C33H46N6O5 and a molecular weight of 606.77 g/mol. Its IUPAC name is N-[4-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 137413593
• Molecular Formula: C33H46N6O5
• Molecular Weight: 606.77 g/mol
• Exact Mass: 606.35
• IUPAC Name: N-[4-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CN1CCN(CCCc2ccc(C(N)=O)c(OC3CCC(NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)CC3)c2)CC1
• InChI: InChI=1S/C33H46N6O5/c1-33(2,42)22-43-26-11-13-29-28(20-35-39(29)21-26)32(41)36-24-7-9-25(10-8-24)44-30-19-23(6-12-27(30)31(34)40)5-4-14-38-17-15-37(3)16-18-38/h6,11-13,19-21,24-25,42H,4-5,7-10,14-18,22H2,1-3H3,(H2,34,40)(H,36,41)
• InChIKey: PJVRJZVGAOOTQZ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 134.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.77
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 137413593) is N-[4-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]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-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CN1CCN(CCCc2ccc(C(N)=O)c(OC3CCC(NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)CC3)c2)CC1.

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

The InChIKey is PJVRJZVGAOOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O5/c1-33(2,42)22-43-26-11-13-29-28(20-35-39(29)21-26)32(41)36-24-7-9-25(10-8-24)44-30-19-23(6-12-27(30)31(34)40)5-4-14-38-17-15-37(3)16-18-38/h6,11-13,19-21,24-25,42H,4-5,7-10,14-18,22H2,1-3H3,(H2,34,40)(H,36,41).

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

N-[4-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 606.77 g/mol, XLogP of 2.88, 12 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-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137413593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).