3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C100H107F3N22O8S2 — CID 159884075

About 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 159884075) has the molecular formula C100H107F3N22O8S2 and a molecular weight of 1866.23 g/mol. Its IUPAC name is 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
• PubChem CID: 159884075
• Molecular Formula: C100H107F3N22O8S2
• Molecular Weight: 1866.23 g/mol
• Exact Mass: 1864.80
• IUPAC Name: 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
• SMILES: COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C4CCN(CC(=O)N(C)C)CC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(NC(=O)C3CC3)s2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(OC3CCC3)s2)c1
• InChI: InChI=1S/C30H34FN7O2.C28H30F2N6O2.C21H21N5O2S.C21H22N4O2S/c1-19-12-26(31)25(30(40)34-23-5-6-23)13-24(19)22-14-33-38(17-22)28-15-32-27-7-4-21(16-37(27)28)20-8-10-36(11-9-20)18-29(39)35(2)3;1-17-10-23(29)21(27(37)33-19-4-5-19)11-20(17)18-13-32-36(15-18)26-14-31-25-12-24(38-3)22(16-35(25)26)28(30)6-8-34(2)9-7-28;1-12-2-3-14(20(28)24-16-6-7-16)8-17(12)15-9-23-26(11-15)18-10-22-21(29-18)25-19(27)13-4-5-13;1-13-5-6-14(20(26)24-16-7-8-16)9-18(13)15-10-23-25(12-15)19-11-22-21(28-19)27-17-3-2-4-17/h4,7,12-17,20,23H,5-6,8-11,18H2,1-3H3,(H,34,40);10-16,19H,4-9H2,1-3H3,(H,33,37);2-3,8-11,13,16H,4-7H2,1H3,(H,24,28)(H,22,25,27);5-6,9-12,16-17H,2-4,7-8H2,1H3,(H,24,26)
• InChIKey: NTXDUTZMAGKONZ-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 322.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.23
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?

The IUPAC name of 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 159884075) is 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

What is the SMILES notation for 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?

The canonical SMILES for 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C4CCN(CC(=O)N(C)C)CC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(NC(=O)C3CC3)s2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(OC3CCC3)s2)c1.

What is the InChIKey of 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?

The InChIKey is NTXDUTZMAGKONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O2.C28H30F2N6O2.C21H21N5O2S.C21H22N4O2S/c1-19-12-26(31)25(30(40)34-23-5-6-23)13-24(19)22-14-33-38(17-22)28-15-32-27-7-4-21(16-37(27)28)20-8-10-36(11-9-20)18-29(39)35(2)3;1-17-10-23(29)21(27(37)33-19-4-5-19)11-20(17)18-13-32-36(15-18)26-14-31-25-12-24(38-3)22(16-35(25)26)28(30)6-8-34(2)9-7-28;1-12-2-3-14(20(28)24-16-6-7-16)8-17(12)15-9-23-26(11-15)18-10-22-21(29-18)25-19(27)13-4-5-13;1-13-5-6-14(20(26)24-16-7-8-16)9-18(13)15-10-23-25(12-15)19-11-22-21(28-19)27-17-3-2-4-17/h4,7,12-17,20,23H,5-6,8-11,18H2,1-3H3,(H,34,40);10-16,19H,4-9H2,1-3H3,(H,33,37);2-3,8-11,13,16H,4-7H2,1H3,(H,24,28)(H,22,25,27);5-6,9-12,16-17H,2-4,7-8H2,1H3,(H,24,26).

What are the key properties of 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?

3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 1866.23 g/mol, XLogP of 15.89, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-cyclobutyloxy-1,3-thiazol-5-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;3-[1-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 159884075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).