3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C88H82ClN21O6 — CID 167553523

About 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167553523) has the molecular formula C88H82ClN21O6 and a molecular weight of 1565.22 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167553523
• Molecular Formula: C88H82ClN21O6
• Molecular Weight: 1565.22 g/mol
• Exact Mass: 1563.64
• IUPAC Name: 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(C)(O)C#Cc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C#C[C@@H](C)O)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C#C[C@H](C)O)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C30H28ClN7O2.2C29H27N7O2/c1-29(2,40)9-8-20-15-23(27-22(16-32)18-35-38(27)19-20)21-6-7-25(34-17-21)37-13-10-30(3,11-14-37)36-28(39)26-24(31)5-4-12-33-26;2*1-19(37)3-4-20-9-26(29-23(11-30)14-33-36(29)16-20)22-6-7-27(31-13-22)34-17-24-10-25(18-34)35(24)15-21-5-8-28(38-2)32-12-21/h4-7,12,15,17-19,40H,10-11,13-14H2,1-3H3,(H,36,39);2*5-9,12-14,16,19,24-25,37H,10,15,17-18H2,1-2H3/t;2*19-,24?,25?/m.10/s1
• InChIKey: CSEBENZBENOBBT-LOMCSDOZSA-N
• XLogP: 9.96
• TPSA: 325.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1565.22
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167553523) is 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)C#Cc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C#C[C@@H](C)O)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C#C[C@H](C)O)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is CSEBENZBENOBBT-LOMCSDOZSA-N. The full InChI is InChI=1S/C30H28ClN7O2.2C29H27N7O2/c1-29(2,40)9-8-20-15-23(27-22(16-32)18-35-38(27)19-20)21-6-7-25(34-17-21)37-13-10-30(3,11-14-37)36-28(39)26-24(31)5-4-12-33-26;2*1-19(37)3-4-20-9-26(29-23(11-30)14-33-36(29)16-20)22-6-7-27(31-13-22)34-17-24-10-25(18-34)35(24)15-21-5-8-28(38-2)32-12-21/h4-7,12,15,17-19,40H,10-11,13-14H2,1-3H3,(H,36,39);2*5-9,12-14,16,19,24-25,37H,10,15,17-18H2,1-2H3/t;2*19-,24?,25?/m.10/s1.

What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1565.22 g/mol, XLogP of 9.96, 14 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167553523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).