(5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

C26H27F3N4O3 — CID 151117213

About (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

(5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 151117213) has the molecular formula C26H27F3N4O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

• Compound Name: (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
• PubChem CID: 151117213
• Molecular Formula: C26H27F3N4O3
• Molecular Weight: 500.52 g/mol
• Exact Mass: 500.20
• IUPAC Name: (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
• SMILES: CO[C@@](C(=O)N1CCC2(CC1)CC(=O)NC[C@@H]2c1cccc2ccnn12)(c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C26H27F3N4O3/c1-36-25(26(27,28)29,18-6-3-2-4-7-18)23(35)32-14-11-24(12-15-32)16-22(34)30-17-20(24)21-9-5-8-19-10-13-31-33(19)21/h2-10,13,20H,11-12,14-17H2,1H3,(H,30,34)/t20-,25-/m1/s1
• InChIKey: MRKOQWKSUYMGDL-CJFMBICVSA-N
• XLogP: 3.65
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?

The IUPAC name of (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (CID 151117213) is (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

What is the SMILES notation for (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?

The canonical SMILES for (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is CO[C@@](C(=O)N1CCC2(CC1)CC(=O)NC[C@@H]2c1cccc2ccnn12)(c1ccccc1)C(F)(F)F.

What is the InChIKey of (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?

The InChIKey is MRKOQWKSUYMGDL-CJFMBICVSA-N. The full InChI is InChI=1S/C26H27F3N4O3/c1-36-25(26(27,28)29,18-6-3-2-4-7-18)23(35)32-14-11-24(12-15-32)16-22(34)30-17-20(24)21-9-5-8-19-10-13-31-33(19)21/h2-10,13,20H,11-12,14-17H2,1H3,(H,30,34)/t20-,25-/m1/s1.

What are the key properties of (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?

(5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 500.52 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 151117213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).