methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate

C21H23FN2O3 — CID 155399381

IUPACmethyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(Cc3cc(OC)c(C(C)(C)C)cc3F)nc2c1
InChIInChI=1S/C21H23FN2O3/c1-21(2,3)16-11-17(22)14(9-18(16)26-4)8-15-12-24-7-6-13(20(25)27-5)10-19(24)23-15/h6-7,9-12H,8H2,1-5H3
InChIKeyPFQBPUZUENWIEU-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.16
Rot. Bonds4

About methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 155399381) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID155399381
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Namemethyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(Cc3cc(OC)c(C(C)(C)C)cc3F)nc2c1
InChIInChI=1S/C21H23FN2O3/c1-21(2,3)16-11-17(22)14(9-18(16)26-4)8-15-12-24-7-6-13(20(25)27-5)10-19(24)23-15/h6-7,9-12H,8H2,1-5H3
InChIKeyPFQBPUZUENWIEU-UHFFFAOYSA-N
XLogP4.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117133420
methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256424
methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256448
methyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135447
methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117135564
methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256440
ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
CID 66677880
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405
methyl 2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117134360
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
methyl 2-[(2S)-2-amino-3-(hexylamino)-3-oxopropyl]imidazo[1,2-a]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
CID 175870109

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 155399381) is methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2cc(Cc3cc(OC)c(C(C)(C)C)cc3F)nc2c1.
What is the InChIKey of methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is PFQBPUZUENWIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-21(2,3)16-11-17(22)14(9-18(16)26-4)8-15-12-24-7-6-13(20(25)27-5)10-19(24)23-15/h6-7,9-12H,8H2,1-5H3.
What are the key properties of methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 370.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 155399381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).