tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate

C33H38ClN7O3S — CID 171084344

About tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate

tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate (PubChem CID 171084344) has the molecular formula C33H38ClN7O3S and a molecular weight of 648.23 g/mol. Its IUPAC name is tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
• PubChem CID: 171084344
• Molecular Formula: C33H38ClN7O3S
• Molecular Weight: 648.23 g/mol
• Exact Mass: 647.24
• IUPAC Name: tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
• SMILES: CC(C)(C)OC(=O)N(Cc1ccc2nc(Cc3nnc(-c4cc(Cl)cc5c4cnn5C4CCCCO4)s3)cn2c1)CC1CCC1
• InChI: InChI=1S/C33H38ClN7O3S/c1-33(2,3)44-32(42)40(17-21-7-6-8-21)19-22-10-11-28-36-24(20-39(28)18-22)15-29-37-38-31(45-29)25-13-23(34)14-27-26(25)16-35-41(27)30-9-4-5-12-43-30/h10-11,13-14,16,18,20-21,30H,4-9,12,15,17,19H2,1-3H3
• InChIKey: NNPARFBWTHCKFX-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 99.67 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.23
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?

The IUPAC name of tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate (CID 171084344) is tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate.

What is the SMILES notation for tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?

The canonical SMILES for tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccc2nc(Cc3nnc(-c4cc(Cl)cc5c4cnn5C4CCCCO4)s3)cn2c1)CC1CCC1.

What is the InChIKey of tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?

The InChIKey is NNPARFBWTHCKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN7O3S/c1-33(2,3)44-32(42)40(17-21-7-6-8-21)19-22-10-11-28-36-24(20-39(28)18-22)15-29-37-38-31(45-29)25-13-23(34)14-27-26(25)16-35-41(27)30-9-4-5-12-43-30/h10-11,13-14,16,18,20-21,30H,4-9,12,15,17,19H2,1-3H3.

What are the key properties of tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?

tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate has a molecular weight of 648.23 g/mol, XLogP of 7.68, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate is sourced from PubChem (CID 171084344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).