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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone

C135H121N37O14S4 — CID 159185998

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone (PubChem CID 159185998) has the molecular formula C135H121N37O14S4 and a molecular weight of 2613.97 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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone.

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone
• PubChem CID: 159185998
• Molecular Formula: C135H121N37O14S4
• Molecular Weight: 2613.97 g/mol
• Exact Mass: 2611.88
• 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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone
• SMILES: CC(=O)c1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccccn56)c4c3)cn2)CC1.CN(C)C(=O)c1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)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.C22H18N6O3S.C21H18N6O2S.C21H17N5O4S.C21H15N5O3S/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;1-26(2)22(29)16-8-6-15(7-9-16)17-11-19-18(23-12-17)13-25-28(19)32(30,31)21-14-24-20-5-3-4-10-27(20)21;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;1-14(27)15-5-7-16(8-6-15)17-10-19-18(22-11-17)12-24-26(19)30(28,29)21-13-23-20-4-2-3-9-25(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;3-14H,1-2H3;3-13H,1-2H3;2-13H,1H3
• InChIKey: KNMLWFCCMWCMCF-UHFFFAOYSA-N
• XLogP: 20.98
• TPSA: 548.88 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 25
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2613.97
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone?

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone (CID 159185998) 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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone.

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone?

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccccn56)c4c3)cn2)CC1.CN(C)C(=O)c1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone?

The InChIKey is KNMLWFCCMWCMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2.C23H23N7.C22H18N6O3S.C21H18N6O2S.C21H17N5O4S.C21H15N5O3S/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;1-26(2)22(29)16-8-6-15(7-9-16)17-11-19-18(23-12-17)13-25-28(19)32(30,31)21-14-24-20-5-3-4-10-27(20)21;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;1-14(27)15-5-7-16(8-6-15)17-10-19-18(22-11-17)12-24-26(19)30(28,29)21-13-23-20-4-2-3-9-25(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;3-14H,1-2H3;3-13H,1-2H3;2-13H,1H3.

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone?

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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone has a molecular weight of 2613.97 g/mol, XLogP of 20.98, 25 rotatable bonds, 0 hydrogen bond donors, and 49 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;4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-N,N-dimethylbenzamide;1-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)phenyl]ethanone is sourced from PubChem (CID 159185998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).