N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

C34H46N6O5 — CID 130229737

About N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130229737) has the molecular formula C34H46N6O5 and a molecular weight of 618.78 g/mol. Its IUPAC name is N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 130229737
• Molecular Formula: C34H46N6O5
• Molecular Weight: 618.78 g/mol
• Exact Mass: 618.35
• IUPAC Name: N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CN1CCN(CCCc2ccc(C(N)=O)c(OC3CC4(CC(NC(=O)c5cnn6cc(OCC(C)(C)O)ccc56)C4)C3)c2)CC1
• InChI: InChI=1S/C34H46N6O5/c1-33(2,43)22-44-25-7-9-29-28(20-36-40(29)21-25)32(42)37-24-16-34(17-24)18-26(19-34)45-30-15-23(6-8-27(30)31(35)41)5-4-10-39-13-11-38(3)12-14-39/h6-9,15,20-21,24,26,43H,4-5,10-14,16-19,22H2,1-3H3,(H2,35,41)(H,37,42)
• InChIKey: FEYRRSRINVBDKK-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 134.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.78
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 130229737) is N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CN1CCN(CCCc2ccc(C(N)=O)c(OC3CC4(CC(NC(=O)c5cnn6cc(OCC(C)(C)O)ccc56)C4)C3)c2)CC1.

What is the InChIKey of N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is FEYRRSRINVBDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N6O5/c1-33(2,43)22-44-25-7-9-29-28(20-36-40(29)21-25)32(42)37-24-16-34(17-24)18-26(19-34)45-30-15-23(6-8-27(30)31(35)41)5-4-10-39-13-11-38(3)12-14-39/h6-9,15,20-21,24,26,43H,4-5,10-14,16-19,22H2,1-3H3,(H2,35,41)(H,37,42).

What are the key properties of N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 618.78 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-[2-[2-carbamoyl-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130229737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).