6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile)

C132H136BBrF8N28O6 — CID 165004755

About 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile)

6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile) (PubChem CID 165004755) has the molecular formula C132H136BBrF8N28O6 and a molecular weight of 2453.43 g/mol. Its IUPAC name is 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile).

Molecular Properties

• Compound Name: 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile)
• PubChem CID: 165004755
• Molecular Formula: C132H136BBrF8N28O6
• Molecular Weight: 2453.43 g/mol
• Exact Mass: 2451.03
• IUPAC Name: 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile)
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)CC1.N#Cc1cnn2cc(Br)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12.N#Cc1cnn2cc(C3=CCNCC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12.N#Cc1cnn2cc(C3=CCNCC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12
• InChI: InChI=1S/C34H35F2N7O2.2C29H27F2N7.C24H19BrF2N6.C16H28BNO4/c1-34(2,3)45-33(44)42-11-9-23(10-12-42)25-17-27(32-26(18-37)20-39-43(32)21-25)24-7-8-31(38-19-24)41-15-13-40(14-16-41)22-28-29(35)5-4-6-30(28)36;2*30-26-2-1-3-27(31)25(26)19-36-10-12-37(13-11-36)28-5-4-21(16-34-28)24-14-22(20-6-8-33-9-7-20)18-38-29(24)23(15-32)17-35-38;25-18-10-19(24-17(11-28)13-30-33(24)14-18)16-4-5-23(29-12-16)32-8-6-31(7-9-32)15-20-21(26)2-1-3-22(20)27;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h4-9,17,19-21H,10-16,22H2,1-3H3;2*1-6,14,16-18,33H,7-13,19H2;1-5,10,12-14H,6-9,15H2;8H,9-11H2,1-7H3
• InChIKey: IUEMDIXLUQAXJQ-UHFFFAOYSA-N
• XLogP: 22.20
• TPSA: 343.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2453.43
LogP ≤ 5	22.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile)?

The IUPAC name of 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile) (CID 165004755) is 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile).

What is the SMILES notation for 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile)?

The canonical SMILES for 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile) is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)CC1.N#Cc1cnn2cc(Br)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12.N#Cc1cnn2cc(C3=CCNCC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12.N#Cc1cnn2cc(C3=CCNCC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12.

What is the InChIKey of 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile)?

The InChIKey is IUEMDIXLUQAXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N7O2.2C29H27F2N7.C24H19BrF2N6.C16H28BNO4/c1-34(2,3)45-33(44)42-11-9-23(10-12-42)25-17-27(32-26(18-37)20-39-43(32)21-25)24-7-8-31(38-19-24)41-15-13-40(14-16-41)22-28-29(35)5-4-6-30(28)36;2*30-26-2-1-3-27(31)25(26)19-36-10-12-37(13-11-36)28-5-4-21(16-34-28)24-14-22(20-6-8-33-9-7-20)18-38-29(24)23(15-32)17-35-38;25-18-10-19(24-17(11-28)13-30-33(24)14-18)16-4-5-23(29-12-16)32-8-6-31(7-9-32)15-20-21(26)2-1-3-22(20)27;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h4-9,17,19-21H,10-16,22H2,1-3H3;2*1-6,14,16-18,33H,7-13,19H2;1-5,10,12-14H,6-9,15H2;8H,9-11H2,1-7H3.

What are the key properties of 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile)?

6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile) has a molecular weight of 2453.43 g/mol, XLogP of 22.20, 20 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile) is sourced from PubChem (CID 165004755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).