4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C100H95N27O4 — CID 165043907

About 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165043907) has the molecular formula C100H95N27O4 and a molecular weight of 1739.04 g/mol. Its IUPAC name is 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165043907
• Molecular Formula: C100H95N27O4
• Molecular Weight: 1739.04 g/mol
• Exact Mass: 1737.81
• IUPAC Name: 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1cc(C#CC(C(C)C)N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)ccn1.COc1cc(C#CC(C)N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)ccn1.COc1cc(C#CC(N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)C(C)(C)O)ccn1
• InChI: InChI=1S/C34H33N9O2.C34H33N9O.C32H29N9O/c1-34(2,44)30(7-5-22-9-10-36-32(11-22)45-4)43-27-13-28(43)21-41(20-27)31-8-6-23(15-37-31)29-12-24(26-17-38-40(3)18-26)19-42-33(29)25(14-35)16-39-42;1-22(2)31(7-5-23-9-10-36-33(11-23)44-4)43-28-13-29(43)21-41(20-28)32-8-6-24(15-37-32)30-12-25(27-17-38-40(3)18-27)19-42-34(30)26(14-35)16-39-42;1-21(4-5-22-8-9-34-31(10-22)42-3)41-27-12-28(41)20-39(19-27)30-7-6-23(14-35-30)29-11-24(26-16-36-38(2)17-26)18-40-32(29)25(13-33)15-37-40/h6,8-12,15-19,27-28,30,44H,13,20-21H2,1-4H3;6,8-12,15-19,22,28-29,31H,13,20-21H2,1-4H3;6-11,14-18,21,27-28H,12,19-20H2,1-3H3
• InChIKey: OOQZYEXGTFHIDE-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 321.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.04
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165043907) is 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(C#CC(C(C)C)N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)ccn1.COc1cc(C#CC(C)N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)ccn1.COc1cc(C#CC(N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)C(C)(C)O)ccn1.

What is the InChIKey of 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is OOQZYEXGTFHIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N9O2.C34H33N9O.C32H29N9O/c1-34(2,44)30(7-5-22-9-10-36-32(11-22)45-4)43-27-13-28(43)21-41(20-27)31-8-6-23(15-37-31)29-12-24(26-17-38-40(3)18-26)19-42-33(29)25(14-35)16-39-42;1-22(2)31(7-5-23-9-10-36-33(11-23)44-4)43-28-13-29(43)21-41(20-28)32-8-6-24(15-37-32)30-12-25(27-17-38-40(3)18-27)19-42-34(30)26(14-35)16-39-42;1-21(4-5-22-8-9-34-31(10-22)42-3)41-27-12-28(41)20-39(19-27)30-7-6-23(14-35-30)29-11-24(26-16-36-38(2)17-26)18-40-32(29)25(13-33)15-37-40/h6,8-12,15-19,27-28,30,44H,13,20-21H2,1-4H3;6,8-12,15-19,22,28-29,31H,13,20-21H2,1-4H3;6-11,14-18,21,27-28H,12,19-20H2,1-3H3.

What are the key properties of 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1739.04 g/mol, XLogP of 11.71, 17 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-[4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[4-(2-methoxy-4-pyridinyl)but-3-yn-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[1-(2-methoxy-4-pyridinyl)-4-methylpent-1-yn-3-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165043907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).