tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate

C33H42F3N5O5 — CID 178046454

About tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate (PubChem CID 178046454) has the molecular formula C33H42F3N5O5 and a molecular weight of 645.72 g/mol. Its IUPAC name is tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate
• PubChem CID: 178046454
• Molecular Formula: C33H42F3N5O5
• Molecular Weight: 645.72 g/mol
• Exact Mass: 645.31
• IUPAC Name: tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate
• SMILES: COc1cc(-c2ccc(F)c(F)c2OCCc2c(C(O)C(C)(C)CF)nn(C)c2C)cc2c(CN(C)C(=O)OC(C)(C)C)cnn12
• InChI: InChI=1S/C33H42F3N5O5/c1-19-22(28(38-40(19)8)30(42)33(5,6)18-34)12-13-45-29-23(10-11-24(35)27(29)36)20-14-25-21(16-37-41(25)26(15-20)44-9)17-39(7)31(43)46-32(2,3)4/h10-11,14-16,30,42H,12-13,17-18H2,1-9H3
• InChIKey: ZZMQCCVQMCRFSQ-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 103.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.72
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate (CID 178046454) is tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate is COc1cc(-c2ccc(F)c(F)c2OCCc2c(C(O)C(C)(C)CF)nn(C)c2C)cc2c(CN(C)C(=O)OC(C)(C)C)cnn12.

What is the InChIKey of tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate?

The InChIKey is ZZMQCCVQMCRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42F3N5O5/c1-19-22(28(38-40(19)8)30(42)33(5,6)18-34)12-13-45-29-23(10-11-24(35)27(29)36)20-14-25-21(16-37-41(25)26(15-20)44-9)17-39(7)31(43)46-32(2,3)4/h10-11,14-16,30,42H,12-13,17-18H2,1-9H3.

What are the key properties of tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate?

tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 645.72 g/mol, XLogP of 6.35, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 178046454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).