3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)

C131H136N22O5S5 — CID 157438328

About 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)

3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide) (PubChem CID 157438328) has the molecular formula C131H136N22O5S5 and a molecular weight of 2259.01 g/mol. Its IUPAC name is 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide).

Molecular Properties

• Compound Name: 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)
• PubChem CID: 157438328
• Molecular Formula: C131H136N22O5S5
• Molecular Weight: 2259.01 g/mol
• Exact Mass: 2256.97
• IUPAC Name: 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)
• SMILES: CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2C2CCCCCC2)c1.CC(C)CCn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nccs3)ccc21.CCCCn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nccs3)ccc21
• InChI: InChI=1S/C28H32N4OS.2C26H23N5OS.C26H30N4OS.C25H28N4OS/c1-28(2,26(33)31-27-29-16-17-34-27)25(20-10-6-5-7-11-20)21-14-15-24-22(18-21)19-30-32(24)23-12-8-3-4-9-13-23;2*1-26(2,24(32)30-25-28-13-14-33-25)23(18-7-4-3-5-8-18)19-10-11-22-20(15-19)16-29-31(22)21-9-6-12-27-17-21;1-18(2)12-14-30-22-11-10-20(16-21(22)17-28-30)23(19-8-6-5-7-9-19)26(3,4)24(31)29-25-27-13-15-32-25;1-4-5-14-29-21-12-11-19(16-20(21)17-27-29)22(18-9-7-6-8-10-18)25(2,3)23(30)28-24-26-13-15-31-24/h5-7,10-11,14-19,23,25H,3-4,8-9,12-13H2,1-2H3,(H,29,31,33);2*3-17,23H,1-2H3,(H,28,30,32);5-11,13,15-18,23H,12,14H2,1-4H3,(H,27,29,31);6-13,15-17,22H,4-5,14H2,1-3H3,(H,26,28,30)
• InChIKey: BRJFHDDQGVNUGO-UHFFFAOYSA-N
• XLogP: 30.96
• TPSA: 324.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2259.01
LogP ≤ 5	30.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)?

The IUPAC name of 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide) (CID 157438328) is 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide).

What is the SMILES notation for 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)?

The canonical SMILES for 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide) is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2C2CCCCCC2)c1.CC(C)CCn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nccs3)ccc21.CCCCn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nccs3)ccc21.

What is the InChIKey of 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)?

The InChIKey is BRJFHDDQGVNUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4OS.2C26H23N5OS.C26H30N4OS.C25H28N4OS/c1-28(2,26(33)31-27-29-16-17-34-27)25(20-10-6-5-7-11-20)21-14-15-24-22(18-21)19-30-32(24)23-12-8-3-4-9-13-23;2*1-26(2,24(32)30-25-28-13-14-33-25)23(18-7-4-3-5-8-18)19-10-11-22-20(15-19)16-29-31(22)21-9-6-12-27-17-21;1-18(2)12-14-30-22-11-10-20(16-21(22)17-28-30)23(19-8-6-5-7-9-19)26(3,4)24(31)29-25-27-13-15-32-25;1-4-5-14-29-21-12-11-19(16-20(21)17-27-29)22(18-9-7-6-8-10-18)25(2,3)23(30)28-24-26-13-15-31-24/h5-7,10-11,14-19,23,25H,3-4,8-9,12-13H2,1-2H3,(H,29,31,33);2*3-17,23H,1-2H3,(H,28,30,32);5-11,13,15-18,23H,12,14H2,1-4H3,(H,27,29,31);6-13,15-17,22H,4-5,14H2,1-3H3,(H,26,28,30).

What are the key properties of 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)?

3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide) has a molecular weight of 2259.01 g/mol, XLogP of 30.96, 34 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide) is sourced from PubChem (CID 157438328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).