3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide

C99H104N20O14S4 — CID 159707346

About 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide

3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide (PubChem CID 159707346) has the molecular formula C99H104N20O14S4 and a molecular weight of 1926.31 g/mol. Its IUPAC name is 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide
• PubChem CID: 159707346
• Molecular Formula: C99H104N20O14S4
• Molecular Weight: 1926.31 g/mol
• Exact Mass: 1924.69
• IUPAC Name: 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide
• SMILES: CCS(=O)(=O)c1cn2cc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)nc2cc1OC.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cn3cc(S(=O)(=O)C(C)(C)C)c(=O)cc3[nH]2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnn3ccc(S(=O)(=O)C(C)(C)C)cc23)c1
• InChI: InChI=1S/C25H27N5O4S.C25H25N5O3S.C25H27N5O3S.C24H25N5O4S/c1-15-5-6-16(24(32)27-18-7-8-18)9-19(15)17-11-26-30(12-17)23-14-29-13-21(20(31)10-22(29)28-23)35(33,34)25(2,3)4;1-16-5-6-17(25(31)28-19-7-8-19)11-22(16)18-12-27-30(14-18)24-13-26-23-10-9-21(15-29(23)24)34(32,33)20-3-2-4-20;1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-13-26-30(15-18)23-14-27-29-10-9-20(12-22(23)29)34(32,33)25(2,3)4;1-4-34(31,32)21-13-28-14-23(27-22(28)10-20(21)33-3)29-12-17(11-25-29)19-9-16(6-5-15(19)2)24(30)26-18-7-8-18/h5-6,9-14,18,28H,7-8H2,1-4H3,(H,27,32);5-6,9-15,19-20H,2-4,7-8H2,1H3,(H,28,31);5-6,9-15,19H,7-8H2,1-4H3,(H,28,31);5-6,9-14,18H,4,7-8H2,1-3H3,(H,26,30)
• InChIKey: UXJUZQDXBNHNFQ-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 422.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.31
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide?

The IUPAC name of 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide (CID 159707346) is 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide.

What is the SMILES notation for 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide?

The canonical SMILES for 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide is CCS(=O)(=O)c1cn2cc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)nc2cc1OC.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cn3cc(S(=O)(=O)C(C)(C)C)c(=O)cc3[nH]2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnn3ccc(S(=O)(=O)C(C)(C)C)cc23)c1.

What is the InChIKey of 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide?

The InChIKey is UXJUZQDXBNHNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S.C25H25N5O3S.C25H27N5O3S.C24H25N5O4S/c1-15-5-6-16(24(32)27-18-7-8-18)9-19(15)17-11-26-30(12-17)23-14-29-13-21(20(31)10-22(29)28-23)35(33,34)25(2,3)4;1-16-5-6-17(25(31)28-19-7-8-19)11-22(16)18-12-27-30(14-18)24-13-26-23-10-9-21(15-29(23)24)34(32,33)20-3-2-4-20;1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-13-26-30(15-18)23-14-27-29-10-9-20(12-22(23)29)34(32,33)25(2,3)4;1-4-34(31,32)21-13-28-14-23(27-22(28)10-20(21)33-3)29-12-17(11-25-29)19-9-16(6-5-15(19)2)24(30)26-18-7-8-18/h5-6,9-14,18,28H,7-8H2,1-4H3,(H,27,32);5-6,9-15,19-20H,2-4,7-8H2,1H3,(H,28,31);5-6,9-15,19H,7-8H2,1-4H3,(H,28,31);5-6,9-14,18H,4,7-8H2,1-3H3,(H,26,30).

What are the key properties of 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide?

3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 1926.31 g/mol, XLogP of 14.12, 23 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(6-tert-butylsulfonyl-7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 159707346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).