3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

C99H102N20O10S3 — CID 157192831

About 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 157192831) has the molecular formula C99H102N20O10S3 and a molecular weight of 1828.24 g/mol. Its IUPAC name is 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
• PubChem CID: 157192831
• Molecular Formula: C99H102N20O10S3
• Molecular Weight: 1828.24 g/mol
• Exact Mass: 1826.72
• IUPAC Name: 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
• SMILES: C=C(C)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.C=S(=O)(CC)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.COc1cc2nc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cn2cc1S(=O)(=O)C(C)(C)C.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCC4)cn23)c1
• InChI: InChI=1S/C26H29N5O4S.C25H25N5O3S.C24H25N5O2S.C24H23N5O/c1-16-6-7-17(25(32)28-19-8-9-19)10-20(16)18-12-27-31(13-18)24-15-30-14-22(36(33,34)26(2,3)4)21(35-5)11-23(30)29-24;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;1-4-32(3,31)20-9-10-22-25-13-23(28(22)15-20)29-14-18(12-26-29)21-11-17(6-5-16(21)2)24(30)27-19-7-8-19;1-15(2)18-6-9-22-25-12-23(28(22)13-18)29-14-19(11-26-29)21-10-17(5-4-16(21)3)24(30)27-20-7-8-20/h6-7,10-15,19H,8-9H2,1-5H3,(H,28,32);5-6,9-15,19-20H,2-4,7-8H2,1H3,(H,28,31);5-6,9-15,19H,3-4,7-8H2,1-2H3,(H,27,30);4-6,9-14,20H,1,7-8H2,2-3H3,(H,27,30)
• InChIKey: APXBEBHHFFDNMR-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 351.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.24
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?

The IUPAC name of 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (CID 157192831) is 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

What is the SMILES notation for 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?

The canonical SMILES for 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is C=C(C)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.C=S(=O)(CC)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.COc1cc2nc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cn2cc1S(=O)(=O)C(C)(C)C.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCC4)cn23)c1.

What is the InChIKey of 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?

The InChIKey is APXBEBHHFFDNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S.C25H25N5O3S.C24H25N5O2S.C24H23N5O/c1-16-6-7-17(25(32)28-19-8-9-19)10-20(16)18-12-27-31(13-18)24-15-30-14-22(36(33,34)26(2,3)4)21(35-5)11-23(30)29-24;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;1-4-32(3,31)20-9-10-22-25-13-23(28(22)15-20)29-14-18(12-26-29)21-11-17(6-5-16(21)2)24(30)27-19-7-8-19;1-15(2)18-6-9-22-25-12-23(28(22)13-18)29-14-19(11-26-29)21-10-17(5-4-16(21)3)24(30)27-20-7-8-20/h6-7,10-15,19H,8-9H2,1-5H3,(H,28,32);5-6,9-15,19-20H,2-4,7-8H2,1H3,(H,28,31);5-6,9-15,19H,3-4,7-8H2,1-2H3,(H,27,30);4-6,9-14,20H,1,7-8H2,2-3H3,(H,27,30).

What are the key properties of 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?

3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 1828.24 g/mol, XLogP of 15.59, 23 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-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-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-prop-1-en-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 157192831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).