tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate

C33H46N6O3Si — CID 156733923

About tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate

tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate (PubChem CID 156733923) has the molecular formula C33H46N6O3Si and a molecular weight of 602.86 g/mol. Its IUPAC name is tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate
• PubChem CID: 156733923
• Molecular Formula: C33H46N6O3Si
• Molecular Weight: 602.86 g/mol
• Exact Mass: 602.34
• IUPAC Name: tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate
• SMILES: Cc1cc(-c2c(C(C)C)c(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)nn2COCC[Si](C)(C)C)cn2ncnc12
• InChI: InChI=1S/C33H46N6O3Si/c1-22(2)28-29(25-12-10-24(11-13-25)27-17-37(18-27)32(40)42-33(4,5)6)36-39(21-41-14-15-43(7,8)9)30(28)26-16-23(3)31-34-20-35-38(31)19-26/h10-13,16,19-20,22,27H,14-15,17-18,21H2,1-9H3
• InChIKey: KATIDGBFDKKRQO-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 86.78 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.86
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate (CID 156733923) is tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate is Cc1cc(-c2c(C(C)C)c(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)nn2COCC[Si](C)(C)C)cn2ncnc12.

What is the InChIKey of tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate?

The InChIKey is KATIDGBFDKKRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O3Si/c1-22(2)28-29(25-12-10-24(11-13-25)27-17-37(18-27)32(40)42-33(4,5)6)36-39(21-41-14-15-43(7,8)9)30(28)26-16-23(3)31-34-20-35-38(31)19-26/h10-13,16,19-20,22,27H,14-15,17-18,21H2,1-9H3.

What are the key properties of tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate?

tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate has a molecular weight of 602.86 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate is sourced from PubChem (CID 156733923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).