methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate

C18H18FN3O4 — CID 139767750

IUPACmethyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(F)c1COc1ccn2c(CO)c(C)nc2c1
InChIInChI=1S/C18H18FN3O4/c1-11-16(9-23)22-7-6-12(8-17(22)20-11)26-10-13-14(19)4-3-5-15(13)21-18(24)25-2/h3-8,23H,9-10H2,1-2H3,(H,21,24)
InChIKeyVUSOPFJJWQNTRB-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.03
Rot. Bonds5

About methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate

methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate (PubChem CID 139767750) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate
PubChem CID139767750
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Namemethyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(F)c1COc1ccn2c(CO)c(C)nc2c1
InChIInChI=1S/C18H18FN3O4/c1-11-16(9-23)22-7-6-12(8-17(22)20-11)26-10-13-14(19)4-3-5-15(13)21-18(24)25-2/h3-8,23H,9-10H2,1-2H3,(H,21,24)
InChIKeyVUSOPFJJWQNTRB-UHFFFAOYSA-N
XLogP3.03
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate
CID 139716801
methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate
CID 139767752
methyl N-[3-ethoxy-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]carbamate
CID 126587722
methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate
CID 134194106
methyl N-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[3-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-iodophenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 158986536
methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 129038513
methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate
CID 126588359
methyl N-[3-iodo-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamate
CID 129038436
methyl N-[3-bromo-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate;methyl N-[3-chloro-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate
CID 161466064
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118144957
tert-butyl N-[2-(chloromethyl)-3-fluorophenyl]carbamate
CID 117236552
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118145001

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate (CID 139767750) is methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate is COC(=O)Nc1cccc(F)c1COc1ccn2c(CO)c(C)nc2c1.
What is the InChIKey of methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate?
The InChIKey is VUSOPFJJWQNTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-11-16(9-23)22-7-6-12(8-17(22)20-11)26-10-13-14(19)4-3-5-15(13)21-18(24)25-2/h3-8,23H,9-10H2,1-2H3,(H,21,24).
What are the key properties of methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate?
methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate has a molecular weight of 359.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate is sourced from PubChem (CID 139767750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).