tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate

C32H42FN5O4 — CID 176899843

About tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate

tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate (PubChem CID 176899843) has the molecular formula C32H42FN5O4 and a molecular weight of 579.72 g/mol. Its IUPAC name is tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
• PubChem CID: 176899843
• Molecular Formula: C32H42FN5O4
• Molecular Weight: 579.72 g/mol
• Exact Mass: 579.32
• IUPAC Name: tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
• SMILES: Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCNC(=O)OC(C)(C)C)n3c2)c(C(O)C(C)(C)C)nn1C
• InChI: InChI=1S/C32H42FN5O4/c1-20-24(28(36-37(20)8)29(39)31(2,3)4)14-16-41-26-17-22(33)10-11-25(26)21-9-12-27-35-18-23(38(27)19-21)13-15-34-30(40)42-32(5,6)7/h9-12,17-19,29,39H,13-16H2,1-8H3,(H,34,40)
• InChIKey: XNHGIWAFUSVVBS-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 102.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.72
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate (CID 176899843) is tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate is Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCNC(=O)OC(C)(C)C)n3c2)c(C(O)C(C)(C)C)nn1C.

What is the InChIKey of tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?

The InChIKey is XNHGIWAFUSVVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN5O4/c1-20-24(28(36-37(20)8)29(39)31(2,3)4)14-16-41-26-17-22(33)10-11-25(26)21-9-12-27-35-18-23(38(27)19-21)13-15-34-30(40)42-32(5,6)7/h9-12,17-19,29,39H,13-16H2,1-8H3,(H,34,40).

What are the key properties of tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?

tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate has a molecular weight of 579.72 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate is sourced from PubChem (CID 176899843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).