3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide

C91H91FN22O9S2 — CID 159152503

IUPAC3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(=O)Nc1ncc(-n2cnc(-c3cc(C(=O)NC4CC4)ccc3C)c2)s1.CNC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N(C)C)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C(C)(C)C)cn23)c1
InChIInChI=1S/C25H27N5O3S.C24H23FN6O2.C23H22N6O2.C19H19N5O2S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-12-27-30(14-18)23-13-26-22-10-9-20(15-29(22)23)34(32,33)25(2,3)4;1-14-8-20(25)19(23(32)28-17-5-6-17)9-18(14)16-10-27-31(13-16)22-11-26-21-7-4-15(12-30(21)22)24(33)29(2)3;1-14-3-4-15(23(31)27-18-5-6-18)9-19(14)17-11-26-29(13-17)21-12-25-20-10-16(22(30)24-2)7-8-28(20)21;1-11-3-4-13(18(26)23-14-5-6-14)7-15(11)16-9-24(10-21-16)17-8-20-19(27-17)22-12(2)25/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31);4,7-13,17H,5-6H2,1-3H3,(H,28,32);3-4,7-13,18H,5-6H2,1-2H3,(H,24,30)(H,27,31);3-4,7-10,14H,5-6H2,1-2H3,(H,23,26)(H,20,22,25)
InChIKeyKJMDOFMTOFGXPJ-UHFFFAOYSA-N
MW1720.01 g/mol
LogP13.09
Rot. Bonds20

About 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide

3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 159152503) has the molecular formula C91H91FN22O9S2 and a molecular weight of 1720.01 g/mol. Its IUPAC name is 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID159152503
Molecular FormulaC91H91FN22O9S2
Molecular Weight1720.01 g/mol
Exact Mass1718.68
IUPAC Name3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(=O)Nc1ncc(-n2cnc(-c3cc(C(=O)NC4CC4)ccc3C)c2)s1.CNC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N(C)C)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C(C)(C)C)cn23)c1
InChIInChI=1S/C25H27N5O3S.C24H23FN6O2.C23H22N6O2.C19H19N5O2S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-12-27-30(14-18)23-13-26-22-10-9-20(15-29(22)23)34(32,33)25(2,3)4;1-14-8-20(25)19(23(32)28-17-5-6-17)9-18(14)16-10-27-31(13-16)22-11-26-21-7-4-15(12-30(21)22)24(33)29(2)3;1-14-3-4-15(23(31)27-18-5-6-18)9-19(14)17-11-26-29(13-17)21-12-25-20-10-16(22(30)24-2)7-8-28(20)21;1-11-3-4-13(18(26)23-14-5-6-14)7-15(11)16-9-24(10-21-16)17-8-20-19(27-17)22-12(2)25/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31);4,7-13,17H,5-6H2,1-3H3,(H,28,32);3-4,7-13,18H,5-6H2,1-2H3,(H,24,30)(H,27,31);3-4,7-10,14H,5-6H2,1-2H3,(H,23,26)(H,20,22,25)
InChIKeyKJMDOFMTOFGXPJ-UHFFFAOYSA-N
XLogP13.09
TPSA365.12 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms125
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001720.01
LogP ≤ 513.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide (CID 159152503) is 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide is CC(=O)Nc1ncc(-n2cnc(-c3cc(C(=O)NC4CC4)ccc3C)c2)s1.CNC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N(C)C)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C(C)(C)C)cn23)c1.
What is the InChIKey of 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is KJMDOFMTOFGXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S.C24H23FN6O2.C23H22N6O2.C19H19N5O2S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-12-27-30(14-18)23-13-26-22-10-9-20(15-29(22)23)34(32,33)25(2,3)4;1-14-8-20(25)19(23(32)28-17-5-6-17)9-18(14)16-10-27-31(13-16)22-11-26-21-7-4-15(12-30(21)22)24(33)29(2)3;1-14-3-4-15(23(31)27-18-5-6-18)9-19(14)17-11-26-29(13-17)21-12-25-20-10-16(22(30)24-2)7-8-28(20)21;1-11-3-4-13(18(26)23-14-5-6-14)7-15(11)16-9-24(10-21-16)17-8-20-19(27-17)22-12(2)25/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31);4,7-13,17H,5-6H2,1-3H3,(H,28,32);3-4,7-13,18H,5-6H2,1-2H3,(H,24,30)(H,27,31);3-4,7-10,14H,5-6H2,1-2H3,(H,23,26)(H,20,22,25).
What are the key properties of 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 1720.01 g/mol, XLogP of 13.09, 20 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 159152503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).