4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28FN7O3 — CID 176650601

About 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176650601) has the molecular formula C27H28FN7O3 and a molecular weight of 517.57 g/mol. Its IUPAC name is 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 176650601
• Molecular Formula: C27H28FN7O3
• Molecular Weight: 517.57 g/mol
• Exact Mass: 517.22
• IUPAC Name: 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C[C@@H](Oc1cc(-c2cnn(C3CCCN(C(=O)C(C)(C)O)C3)c2)cn2ncc(C#N)c12)c1ncccc1F
• InChI: InChI=1S/C27H28FN7O3/c1-17(24-22(28)7-4-8-30-24)38-23-10-18(14-35-25(23)19(11-29)12-32-35)20-13-31-34(15-20)21-6-5-9-33(16-21)26(36)27(2,3)37/h4,7-8,10,12-15,17,21,37H,5-6,9,16H2,1-3H3/t17-,21?/m1/s1
• InChIKey: IQOTUVOMCIOMOX-OQHSHRKDSA-N
• XLogP: 3.68
• TPSA: 121.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.57
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176650601) is 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C[C@@H](Oc1cc(-c2cnn(C3CCCN(C(=O)C(C)(C)O)C3)c2)cn2ncc(C#N)c12)c1ncccc1F.

What is the InChIKey of 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is IQOTUVOMCIOMOX-OQHSHRKDSA-N. The full InChI is InChI=1S/C27H28FN7O3/c1-17(24-22(28)7-4-8-30-24)38-23-10-18(14-35-25(23)19(11-29)12-32-35)20-13-31-34(15-20)21-6-5-9-33(16-21)26(36)27(2,3)37/h4,7-8,10,12-15,17,21,37H,5-6,9,16H2,1-3H3/t17-,21?/m1/s1.

What are the key properties of 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 517.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176650601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).