3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

C98H98ClF3N22O8S2 — CID 158593265

About 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 158593265) has the molecular formula C98H98ClF3N22O8S2 and a molecular weight of 1868.59 g/mol. Its IUPAC name is 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
• PubChem CID: 158593265
• Molecular Formula: C98H98ClF3N22O8S2
• Molecular Weight: 1868.59 g/mol
• Exact Mass: 1866.70
• IUPAC Name: 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
• SMILES: C=S(C)(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4Cl)cn3)n2c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCN(C)CC4)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)C)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cn3cc(S(=O)(=O)C(C)(C)C)ccc3n2)c1
• InChI: InChI=1S/C27H28FN7O2.C25H27N5O3S.C24H24FN5O.C22H19ClFN5O2S/c1-17-11-23(28)22(26(36)31-20-4-5-20)12-21(17)19-13-30-35(16-19)25-14-29-24-6-3-18(15-34(24)25)27(37)33-9-7-32(2)8-10-33;1-16-5-6-17(24(31)27-19-7-8-19)11-21(16)18-12-26-30(13-18)23-15-29-14-20(9-10-22(29)28-23)34(32,33)25(2,3)4;1-14(2)16-4-7-22-26-11-23(29(22)12-16)30-13-17(10-27-30)19-9-20(21(25)8-15(19)3)24(31)28-18-5-6-18;1-32(2,31)15-5-6-20-25-10-21(28(20)12-15)29-11-13(9-26-29)16-7-17(19(24)8-18(16)23)22(30)27-14-3-4-14/h3,6,11-16,20H,4-5,7-10H2,1-2H3,(H,31,36);5-6,9-15,19H,7-8H2,1-4H3,(H,27,31);4,7-14,18H,5-6H2,1-3H3,(H,28,31);5-12,14H,1,3-4H2,2H3,(H,27,30)
• InChIKey: HURZMONKYMLZHG-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 331.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.59
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?

The IUPAC name of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (CID 158593265) is 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

What is the SMILES notation for 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?

The canonical SMILES for 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is C=S(C)(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4Cl)cn3)n2c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCN(C)CC4)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)C)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cn3cc(S(=O)(=O)C(C)(C)C)ccc3n2)c1.

What is the InChIKey of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?

The InChIKey is HURZMONKYMLZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O2.C25H27N5O3S.C24H24FN5O.C22H19ClFN5O2S/c1-17-11-23(28)22(26(36)31-20-4-5-20)12-21(17)19-13-30-35(16-19)25-14-29-24-6-3-18(15-34(24)25)27(37)33-9-7-32(2)8-10-33;1-16-5-6-17(24(31)27-19-7-8-19)11-21(16)18-12-26-30(13-18)23-15-29-14-20(9-10-22(29)28-23)34(32,33)25(2,3)4;1-14(2)16-4-7-22-26-11-23(29(22)12-16)30-13-17(10-27-30)19-9-20(21(25)8-15(19)3)24(31)28-18-5-6-18;1-32(2,31)15-5-6-20-25-10-21(28(20)12-15)29-11-13(9-26-29)16-7-17(19(24)8-18(16)23)22(30)27-14-3-4-14/h3,6,11-16,20H,4-5,7-10H2,1-2H3,(H,31,36);5-6,9-15,19H,7-8H2,1-4H3,(H,27,31);4,7-14,18H,5-6H2,1-3H3,(H,28,31);5-12,14H,1,3-4H2,2H3,(H,27,30).

What are the key properties of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?

3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 1868.59 g/mol, XLogP of 15.10, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-[1-[6-(methyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 158593265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).