tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine

C46H42N14O4S2 — CID 157244763

About tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine

tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 157244763) has the molecular formula C46H42N14O4S2 and a molecular weight of 919.07 g/mol. Its IUPAC name is tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 157244763
• Molecular Formula: C46H42N14O4S2
• Molecular Weight: 919.07 g/mol
• Exact Mass: 918.30
• IUPAC Name: tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine
• SMILES: CC(C)(C)OC(=O)N(c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)c1nnc(-c2cccc(-c3cn[nH]c3)c2)s1.c1cc(-c2cn[nH]c2)cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
• InChI: InChI=1S/C28H29N7O4S.C18H13N7S/c1-27(2,3)38-25(36)34(21-10-11-22-19(13-21)16-31-35(22)26(37)39-28(4,5)6)24-33-32-23(40-24)18-9-7-8-17(12-18)20-14-29-30-15-20;1-2-11(14-9-19-20-10-14)6-12(3-1)17-24-25-18(26-17)22-15-4-5-16-13(7-15)8-21-23-16/h7-16H,1-6H3,(H,29,30);1-10H,(H,19,20)(H,21,23)(H,22,25)
• InChIKey: AVPYBYRFYZDJPA-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 223.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.07
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine (CID 157244763) is tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine is CC(C)(C)OC(=O)N(c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)c1nnc(-c2cccc(-c3cn[nH]c3)c2)s1.c1cc(-c2cn[nH]c2)cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.

What is the InChIKey of tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is AVPYBYRFYZDJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O4S.C18H13N7S/c1-27(2,3)38-25(36)34(21-10-11-22-19(13-21)16-31-35(22)26(37)39-28(4,5)6)24-33-32-23(40-24)18-9-7-8-17(12-18)20-14-29-30-15-20;1-2-11(14-9-19-20-10-14)6-12(3-1)17-24-25-18(26-17)22-15-4-5-16-13(7-15)8-21-23-16/h7-16H,1-6H3,(H,29,30);1-10H,(H,19,20)(H,21,23)(H,22,25).

What are the key properties of tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine?

tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 919.07 g/mol, XLogP of 11.02, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 157244763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).