5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide

C85H80Cl2F3N19O6S2 — CID 160504889

IUPAC5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide
SMILESCC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1.CNC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)(C)C)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(C(C)C)cn23)cn1
InChIInChI=1S/C25H26FN5O.C24H25N5O.C18H15ClFN5O2S.C18H14ClFN4O2S/c1-15-9-21(26)20(24(32)29-18-6-7-18)10-19(15)16-11-28-31(13-16)23-12-27-22-8-5-17(14-30(22)23)25(2,3)4;1-15(2)18-6-9-22-25-11-23(29(22)12-18)28-13-21(26-14-28)20-10-17(5-4-16(20)3)24(30)27-19-7-8-19;1-21-17(27)18-22-7-15(28-18)25-8-9(6-23-25)11-4-12(14(20)5-13(11)19)16(26)24-10-2-3-10;1-9(25)18-21-7-16(27-18)24-8-10(6-22-24)12-4-13(15(20)5-14(12)19)17(26)23-11-2-3-11/h5,8-14,18H,6-7H2,1-4H3,(H,29,32);4-6,9-15,19H,7-8H2,1-3H3,(H,27,30);4-8,10H,2-3H2,1H3,(H,21,27)(H,24,26);4-8,11H,2-3H2,1H3,(H,23,26)
InChIKeyQSGPHOKIUXQXEN-UHFFFAOYSA-N
MW1655.74 g/mol
LogP16.26
Rot. Bonds19

About 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide

5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide (PubChem CID 160504889) has the molecular formula C85H80Cl2F3N19O6S2 and a molecular weight of 1655.74 g/mol. Its IUPAC name is 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide
PubChem CID160504889
Molecular FormulaC85H80Cl2F3N19O6S2
Molecular Weight1655.74 g/mol
Exact Mass1653.53
IUPAC Name5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide
SMILESCC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1.CNC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)(C)C)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(C(C)C)cn23)cn1
InChIInChI=1S/C25H26FN5O.C24H25N5O.C18H15ClFN5O2S.C18H14ClFN4O2S/c1-15-9-21(26)20(24(32)29-18-6-7-18)10-19(15)16-11-28-31(13-16)23-12-27-22-8-5-17(14-30(22)23)25(2,3)4;1-15(2)18-6-9-22-25-11-23(29(22)12-18)28-13-21(26-14-28)20-10-17(5-4-16(20)3)24(30)27-19-7-8-19;1-21-17(27)18-22-7-15(28-18)25-8-9(6-23-25)11-4-12(14(20)5-13(11)19)16(26)24-10-2-3-10;1-9(25)18-21-7-16(27-18)24-8-10(6-22-24)12-4-13(15(20)5-14(12)19)17(26)23-11-2-3-11/h5,8-14,18H,6-7H2,1-4H3,(H,29,32);4-6,9-15,19H,7-8H2,1-3H3,(H,27,30);4-8,10H,2-3H2,1H3,(H,21,27)(H,24,26);4-8,11H,2-3H2,1H3,(H,23,26)
InChIKeyQSGPHOKIUXQXEN-UHFFFAOYSA-N
XLogP16.26
TPSA294.23 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001655.74
LogP ≤ 516.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide?
The IUPAC name of 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide (CID 160504889) is 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide.
What is the SMILES notation for 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide?
The canonical SMILES for 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide is CC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1.CNC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)(C)C)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(C(C)C)cn23)cn1.
What is the InChIKey of 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide?
The InChIKey is QSGPHOKIUXQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O.C24H25N5O.C18H15ClFN5O2S.C18H14ClFN4O2S/c1-15-9-21(26)20(24(32)29-18-6-7-18)10-19(15)16-11-28-31(13-16)23-12-27-22-8-5-17(14-30(22)23)25(2,3)4;1-15(2)18-6-9-22-25-11-23(29(22)12-18)28-13-21(26-14-28)20-10-17(5-4-16(20)3)24(30)27-19-7-8-19;1-21-17(27)18-22-7-15(28-18)25-8-9(6-23-25)11-4-12(14(20)5-13(11)19)16(26)24-10-2-3-10;1-9(25)18-21-7-16(27-18)24-8-10(6-22-24)12-4-13(15(20)5-14(12)19)17(26)23-11-2-3-11/h5,8-14,18H,6-7H2,1-4H3,(H,29,32);4-6,9-15,19H,7-8H2,1-3H3,(H,27,30);4-8,10H,2-3H2,1H3,(H,21,27)(H,24,26);4-8,11H,2-3H2,1H3,(H,23,26).
What are the key properties of 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide?
5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide has a molecular weight of 1655.74 g/mol, XLogP of 16.26, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-acetyl-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;5-[1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide;N-cyclopropyl-4-methyl-3-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]benzamide is sourced from PubChem (CID 160504889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).