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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C91H88FN19O7 — CID 167544701

About 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167544701) has the molecular formula C91H88FN19O7 and a molecular weight of 1578.83 g/mol. Its IUPAC name is 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167544701
• Molecular Formula: C91H88FN19O7
• Molecular Weight: 1578.83 g/mol
• Exact Mass: 1577.71
• IUPAC Name: 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C#CC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(OC2CCN(c3ccc(-c4cc(C#CC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cn1.Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(C#CC(C)(C)O)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C32H31FN6O2.C30H29N7O2.C29H28N6O3/c1-21-5-7-25(33)16-26(21)30(40)37-32(4)11-13-38(14-12-32)28-8-6-23(18-35-28)27-15-22(9-10-31(2,3)41)20-39-29(27)24(17-34)19-36-39;1-30(2,38)9-8-20-10-26(29-23(12-31)15-34-37(29)17-20)22-5-6-27(32-14-22)35-18-24-11-25(19-35)36(24)16-21-4-7-28(39-3)33-13-21;1-29(2,36)11-8-20-14-25(28-22(15-30)17-33-35(28)19-20)21-4-6-26(31-16-21)34-12-9-23(10-13-34)38-24-5-7-27(37-3)32-18-24/h5-8,15-16,18-20,41H,11-14H2,1-4H3,(H,37,40);4-7,10,13-15,17,24-25,38H,11,16,18-19H2,1-3H3;4-7,14,16-19,23,36H,9-10,12-13H2,1-3H3
• InChIKey: BQECPYPFHKGBGF-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 318.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.83
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167544701) is 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C#CC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(OC2CCN(c3ccc(-c4cc(C#CC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cn1.Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(C#CC(C)(C)O)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BQECPYPFHKGBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O2.C30H29N7O2.C29H28N6O3/c1-21-5-7-25(33)16-26(21)30(40)37-32(4)11-13-38(14-12-32)28-8-6-23(18-35-28)27-15-22(9-10-31(2,3)41)20-39-29(27)24(17-34)19-36-39;1-30(2,38)9-8-20-10-26(29-23(12-31)15-34-37(29)17-20)22-5-6-27(32-14-22)35-18-24-11-25(19-35)36(24)16-21-4-7-28(39-3)33-13-21;1-29(2,36)11-8-20-14-25(28-22(15-30)17-33-35(28)19-20)21-4-6-26(31-16-21)34-12-9-23(10-13-34)38-24-5-7-27(37-3)32-18-24/h5-8,15-16,18-20,41H,11-14H2,1-4H3,(H,37,40);4-7,10,13-15,17,24-25,38H,11,16,18-19H2,1-3H3;4-7,14,16-19,23,36H,9-10,12-13H2,1-3H3.

What are the key properties of 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1578.83 g/mol, XLogP of 11.73, 14 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-5-fluoro-2-methylbenzamide;6-(3-hydroxy-3-methylbut-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-(3-hydroxy-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167544701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).