4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

C86H89N25O4 — CID 165058903

About 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165058903) has the molecular formula C86H89N25O4 and a molecular weight of 1536.83 g/mol. Its IUPAC name is 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165058903
• Molecular Formula: C86H89N25O4
• Molecular Weight: 1536.83 g/mol
• Exact Mass: 1535.75
• IUPAC Name: 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5CCNC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CCNC5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C29H30N8O2.C29H30N8O.C28H29N9O/c1-38-28-5-2-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-4-3-21(14-31-27)26-11-23(34-6-8-39-9-7-34)19-37-29(26)22(12-30)15-33-37;1-38-28-5-2-19(11-33-28)15-36-24-9-25(36)18-35(17-24)27-4-3-21(13-32-27)26-8-22(20-6-7-31-12-20)16-37-29(26)23(10-30)14-34-37;1-38-27-3-2-18(9-33-27)14-36-22-7-23(36)17-35(16-22)26-13-31-25(12-32-26)24-6-20(19-4-5-30-10-19)15-37-28(24)21(8-29)11-34-37/h2-5,11,13-15,19,24-25H,6-10,16-18H2,1H3;2-5,8,11,13-14,16,20,24-25,31H,6-7,9,12,15,17-18H2,1H3;2-3,6,9,11-13,15,19,22-23,30H,4-5,7,10,14,16-17H2,1H3
• InChIKey: QWKOWJYAUHJKAY-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 297.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1536.83
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165058903) is 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5CCNC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CCNC5)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is QWKOWJYAUHJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2.C29H30N8O.C28H29N9O/c1-38-28-5-2-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-4-3-21(14-31-27)26-11-23(34-6-8-39-9-7-34)19-37-29(26)22(12-30)15-33-37;1-38-28-5-2-19(11-33-28)15-36-24-9-25(36)18-35(17-24)27-4-3-21(13-32-27)26-8-22(20-6-7-31-12-20)16-37-29(26)23(10-30)14-34-37;1-38-27-3-2-18(9-33-27)14-36-22-7-23(36)17-35(16-22)26-13-31-25(12-32-26)24-6-20(19-4-5-30-10-19)15-37-28(24)21(8-29)11-34-37/h2-5,11,13-15,19,24-25H,6-10,16-18H2,1H3;2-5,8,11,13-14,16,20,24-25,31H,6-7,9,12,15,17-18H2,1H3;2-3,6,9,11-13,15,19,22-23,30H,4-5,7,10,14,16-17H2,1H3.

What are the key properties of 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1536.83 g/mol, XLogP of 8.79, 18 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165058903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).