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

C31H39FN6O5 — CID 137366103

IUPACtert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
SMILESCOCCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCNC(=O)OC(C)(C)C)n2c1
InChIInChI=1S/C31H39FN6O5/c1-20-24(28(36-37(20)5)29(39)33-14-16-41-6)12-15-42-26-17-22(32)8-9-25(26)21-7-10-27-35-18-23(38(27)19-21)11-13-34-30(40)43-31(2,3)4/h7-10,17-19H,11-16H2,1-6H3,(H,33,39)(H,34,40)
InChIKeyJVPWUNWNIWKDHU-UHFFFAOYSA-N
MW594.69 g/mol
LogP4.25
Rot. Bonds12

About tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-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-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate (PubChem CID 137366103) has the molecular formula C31H39FN6O5 and a molecular weight of 594.69 g/mol. Its IUPAC name is tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
PubChem CID137366103
Molecular FormulaC31H39FN6O5
Molecular Weight594.69 g/mol
Exact Mass594.30
IUPAC Nametert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
SMILESCOCCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCNC(=O)OC(C)(C)C)n2c1
InChIInChI=1S/C31H39FN6O5/c1-20-24(28(36-37(20)5)29(39)33-14-16-41-6)12-15-42-26-17-22(32)8-9-25(26)21-7-10-27-35-18-23(38(27)19-21)11-13-34-30(40)43-31(2,3)4/h7-10,17-19H,11-16H2,1-6H3,(H,33,39)(H,34,40)
InChIKeyJVPWUNWNIWKDHU-UHFFFAOYSA-N
XLogP4.25
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.69
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-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-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate (CID 137366103) is tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-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-(2-methoxyethylcarbamoyl)-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-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate is COCCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCNC(=O)OC(C)(C)C)n2c1.
What is the InChIKey of tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?
The InChIKey is JVPWUNWNIWKDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN6O5/c1-20-24(28(36-37(20)5)29(39)33-14-16-41-6)12-15-42-26-17-22(32)8-9-25(26)21-7-10-27-35-18-23(38(27)19-21)11-13-34-30(40)43-31(2,3)4/h7-10,17-19H,11-16H2,1-6H3,(H,33,39)(H,34,40).
What are the key properties of tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-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-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate has a molecular weight of 594.69 g/mol, XLogP of 4.25, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(2-methoxyethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate is sourced from PubChem (CID 137366103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).