6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)

C125H126Br3N37O6 — CID 165032903

About 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)

6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) (PubChem CID 165032903) has the molecular formula C125H126Br3N37O6 and a molecular weight of 2482.35 g/mol. Its IUPAC name is 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile).

Molecular Properties

• Compound Name: 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
• PubChem CID: 165032903
• Molecular Formula: C125H126Br3N37O6
• Molecular Weight: 2482.35 g/mol
• Exact Mass: 2477.82
• IUPAC Name: 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(Br)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCNCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCNCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(Br)cc(Br)c12
• InChI: InChI=1S/C34H39N9O3.2C29H31N9O.C25H22BrN7O.C8H3Br2N3/c1-34(2,3)46-33(44)40-11-9-39(10-12-40)26-14-29(32-25(15-35)18-38-43(32)22-26)24-6-7-30(36-17-24)41-20-27-13-28(21-41)42(27)19-23-5-8-31(45-4)37-16-23;2*1-39-28-5-2-20(13-33-28)16-37-24-10-25(37)18-36(17-24)27-4-3-21(14-32-27)26-11-23(35-8-6-31-7-9-35)19-38-29(26)22(12-30)15-34-38;1-34-24-5-2-16(9-29-24)12-32-20-7-21(32)15-31(14-20)23-4-3-17(10-28-23)22-6-19(26)13-33-25(22)18(8-27)11-30-33;9-6-1-7(10)8-5(2-11)3-12-13(8)4-6/h5-8,14,16-18,22,27-28H,9-13,19-21H2,1-4H3;2*2-5,11,13-15,19,24-25,31H,6-10,16-18H2,1H3;2-6,9-11,13,20-21H,7,12,14-15H2,1H3;1,3-4H
• InChIKey: MXZSYNIYUSAHGC-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 434.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.35
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?

The IUPAC name of 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) (CID 165032903) is 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile).

What is the SMILES notation for 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?

The canonical SMILES for 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(Br)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCNCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCNCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(Br)cc(Br)c12.

What is the InChIKey of 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?

The InChIKey is MXZSYNIYUSAHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N9O3.2C29H31N9O.C25H22BrN7O.C8H3Br2N3/c1-34(2,3)46-33(44)40-11-9-39(10-12-40)26-14-29(32-25(15-35)18-38-43(32)22-26)24-6-7-30(36-17-24)41-20-27-13-28(21-41)42(27)19-23-5-8-31(45-4)37-16-23;2*1-39-28-5-2-20(13-33-28)16-37-24-10-25(37)18-36(17-24)27-4-3-21(14-32-27)26-11-23(35-8-6-31-7-9-35)19-38-29(26)22(12-30)15-34-38;1-34-24-5-2-16(9-29-24)12-32-20-7-21(32)15-31(14-20)23-4-3-17(10-28-23)22-6-19(26)13-33-25(22)18(8-27)11-30-33;9-6-1-7(10)8-5(2-11)3-12-13(8)4-6/h5-8,14,16-18,22,27-28H,9-13,19-21H2,1-4H3;2*2-5,11,13-15,19,24-25,31H,6-10,16-18H2,1H3;2-6,9-11,13,20-21H,7,12,14-15H2,1H3;1,3-4H.

What are the key properties of 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?

6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) has a molecular weight of 2482.35 g/mol, XLogP of 15.91, 23 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-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;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) is sourced from PubChem (CID 165032903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).