tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate

C29H28F3N3O4 — CID 149039486

IUPACtert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1ccc(F)cc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C29H28F3N3O4/c1-17-26(24(36)14-18-10-11-20(30)13-19(18)15-33-28(37)39-29(2,3)4)35-12-6-9-25(27(35)34-17)38-16-21-22(31)7-5-8-23(21)32/h5-13H,14-16H2,1-4H3,(H,33,37)
InChIKeyQHHCIRGPALNCTR-UHFFFAOYSA-N
MW539.55 g/mol
LogP6.09
Rot. Bonds8

About tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate

tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate (PubChem CID 149039486) has the molecular formula C29H28F3N3O4 and a molecular weight of 539.55 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate
PubChem CID149039486
Molecular FormulaC29H28F3N3O4
Molecular Weight539.55 g/mol
Exact Mass539.20
IUPAC Nametert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1ccc(F)cc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C29H28F3N3O4/c1-17-26(24(36)14-18-10-11-20(30)13-19(18)15-33-28(37)39-29(2,3)4)35-12-6-9-25(27(35)34-17)38-16-21-22(31)7-5-8-23(21)32/h5-13H,14-16H2,1-4H3,(H,33,37)
InChIKeyQHHCIRGPALNCTR-UHFFFAOYSA-N
XLogP6.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.55
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate
CID 158696585
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
tert-butyl 3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoroindazole-1-carboxylate
CID 118144901
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 158469732
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one
CID 157199247
methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 90090885
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
carbon dioxide;8-[(2,6-difluorophenyl)methoxy]-N-[(4-ethylphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 160830018
8-[(2,6-difluorophenyl)methoxy]-N-[[2-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321089
N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide
CID 159501972
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
CID 147859544

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate (CID 149039486) is tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1ccc(F)cc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate?
The InChIKey is QHHCIRGPALNCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N3O4/c1-17-26(24(36)14-18-10-11-20(30)13-19(18)15-33-28(37)39-29(2,3)4)35-12-6-9-25(27(35)34-17)38-16-21-22(31)7-5-8-23(21)32/h5-13H,14-16H2,1-4H3,(H,33,37).
What are the key properties of tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate?
tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate has a molecular weight of 539.55 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-5-fluorophenyl]methyl]carbamate is sourced from PubChem (CID 149039486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).