tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline

C92H88N26O8S2 — CID 159967196

About tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline

tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline (PubChem CID 159967196) has the molecular formula C92H88N26O8S2 and a molecular weight of 1750.02 g/mol. Its IUPAC name is tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline
• PubChem CID: 159967196
• Molecular Formula: C92H88N26O8S2
• Molecular Weight: 1750.02 g/mol
• Exact Mass: 1748.67
• IUPAC Name: tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccccn56)c4c3)cn2)CC1.CN(C)c1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.COc1ccc(OC)c(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)c1.c1ccn2c(Cn3ncc4ncc(-c5cnn(C6CCCCC6)c5)cc43)cnc2c1
• InChI: InChI=1S/C27H30N8O2.C23H23N7.C21H18N6O2S.C21H17N5O4S/c1-27(2,3)37-26(36)32-10-7-21(8-11-32)34-17-20(14-30-34)19-12-24-23(28-13-19)16-31-35(24)18-22-15-29-25-6-4-5-9-33(22)25;1-2-6-19(7-3-1)29-15-18(12-26-29)17-10-22-21(24-11-17)14-27-30(22)16-20-13-25-23-8-4-5-9-28(20)23;1-25(2)17-8-6-15(7-9-17)16-11-19-18(22-12-16)13-24-27(19)30(28,29)21-14-23-20-5-3-4-10-26(20)21;1-29-15-6-7-19(30-2)16(10-15)14-9-18-17(22-11-14)12-24-26(18)31(27,28)21-13-23-20-5-3-4-8-25(20)21/h4-6,9,12-17,21H,7-8,10-11,18H2,1-3H3;4-5,8-15,19H,1-3,6-7,16H2;3-14H,1-2H3;3-13H,1-2H3
• InChIKey: OEBVRWJUCVWSGJ-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 347.20 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.02
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline?

The IUPAC name of tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline (CID 159967196) is tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline.

What is the SMILES notation for tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline?

The canonical SMILES for tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccccn56)c4c3)cn2)CC1.CN(C)c1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.COc1ccc(OC)c(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)c1.c1ccn2c(Cn3ncc4ncc(-c5cnn(C6CCCCC6)c5)cc43)cnc2c1.

What is the InChIKey of tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline?

The InChIKey is OEBVRWJUCVWSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2.C23H23N7.C21H18N6O2S.C21H17N5O4S/c1-27(2,3)37-26(36)32-10-7-21(8-11-32)34-17-20(14-30-34)19-12-24-23(28-13-19)16-31-35(24)18-22-15-29-25-6-4-5-9-33(22)25;1-2-6-19(7-3-1)29-15-18(12-26-29)17-10-22-21(24-11-17)14-27-30(22)16-20-13-25-23-8-4-5-9-28(20)23;1-25(2)17-8-6-15(7-9-17)16-11-19-18(22-12-16)13-24-27(19)30(28,29)21-14-23-20-5-3-4-10-26(20)21;1-29-15-6-7-19(30-2)16(10-15)14-9-18-17(22-11-14)12-24-26(18)31(27,28)21-13-23-20-5-3-4-8-25(20)21/h4-6,9,12-17,21H,7-8,10-11,18H2,1-3H3;4-5,8-15,19H,1-3,6-7,16H2;3-14H,1-2H3;3-13H,1-2H3.

What are the key properties of tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline?

tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline has a molecular weight of 1750.02 g/mol, XLogP of 15.11, 17 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;6-(2,5-dimethoxyphenyl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylaniline is sourced from PubChem (CID 159967196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).