N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

C36H47N5O6 — CID 130229803

About N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130229803) has the molecular formula C36H47N5O6 and a molecular weight of 645.80 g/mol. Its IUPAC name is N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 130229803
• Molecular Formula: C36H47N5O6
• Molecular Weight: 645.80 g/mol
• Exact Mass: 645.35
• IUPAC Name: N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3cc(CCCN5CCOCC5)ccc3C(N)=O)C4)cnn2c1C1CC1
• InChI: InChI=1S/C36H47N5O6/c1-35(2,44)22-46-30-10-9-29-28(21-38-41(29)32(30)24-6-7-24)34(43)39-25-17-36(18-25)19-26(20-36)47-31-16-23(5-8-27(31)33(37)42)4-3-11-40-12-14-45-15-13-40/h5,8-10,16,21,24-26,44H,3-4,6-7,11-15,17-20,22H2,1-2H3,(H2,37,42)(H,39,43)
• InChIKey: FRHUBPXRFRJUFV-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 140.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	645.80
LogP ≤ 5	3.85
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-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 130229803) is N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3cc(CCCN5CCOCC5)ccc3C(N)=O)C4)cnn2c1C1CC1.

What is the InChIKey of N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is FRHUBPXRFRJUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N5O6/c1-35(2,44)22-46-30-10-9-29-28(21-38-41(29)32(30)24-6-7-24)34(43)39-25-17-36(18-25)19-26(20-36)47-31-16-23(5-8-27(31)33(37)42)4-3-11-40-12-14-45-15-13-40/h5,8-10,16,21,24-26,44H,3-4,6-7,11-15,17-20,22H2,1-2H3,(H2,37,42)(H,39,43).

What are the key properties of N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[2-[2-carbamoyl-5-(3-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 645.80 g/mol, XLogP of 3.85, 13 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-morpholin-4-ylpropyl)phenoxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130229803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).