methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate

C18H17Cl2N3O3 — CID 18923593

IUPACmethyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(Cl)c(COc2cccn3cc(C)nc23)c1Cl
InChIInChI=1S/C18H17Cl2N3O3/c1-11-9-23-8-4-5-15(17(23)21-11)26-10-12-13(19)6-7-14(16(12)20)22(2)18(24)25-3/h4-9H,10H2,1-3H3
InChIKeyBBCPFQRYAVMXBC-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.73
Rot. Bonds4

About methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate

methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate (PubChem CID 18923593) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate
PubChem CID18923593
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Namemethyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(Cl)c(COc2cccn3cc(C)nc23)c1Cl
InChIInChI=1S/C18H17Cl2N3O3/c1-11-9-23-8-4-5-15(17(23)21-11)26-10-12-13(19)6-7-14(16(12)20)22(2)18(24)25-3/h4-9H,10H2,1-3H3
InChIKeyBBCPFQRYAVMXBC-UHFFFAOYSA-N
XLogP4.73
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate with MolForge

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Related Compounds

FR167344
CID 9810391
4-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide;hydrochloride
CID 9810390
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichloro-3-(2-methoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
CID 10675243
{4-[3-({2-[(E)-3-(6-Acetylamino-pyridin-3-yl)-acryloylamino]-acetyl}-methyl-amino)-2,6-dichloro-benzyloxy]-2-methoxy-benzoimidazol-1-yl}-acetic acid ethyl ester
CID 11422541
(E)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride
CID 18923341
4-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride
CID 18923352
(E)-3-(6-acetamido-3-pyridinyl)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide;dihydrochloride
CID 18923431
(E)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-[4-(methylcarbamoylamino)phenyl]prop-2-enamide;hydrochloride
CID 18923465
5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 18923711
2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride
CID 18923731
3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N,N-dimethylbenzamide;hydrochloride
CID 23371747
3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 23371751

Frequently Asked Questions

What is the IUPAC name of methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate (CID 18923593) is methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate is COC(=O)N(C)c1ccc(Cl)c(COc2cccn3cc(C)nc23)c1Cl.
What is the InChIKey of methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate?
The InChIKey is BBCPFQRYAVMXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-11-9-23-8-4-5-15(17(23)21-11)26-10-12-13(19)6-7-14(16(12)20)22(2)18(24)25-3/h4-9H,10H2,1-3H3.
What are the key properties of methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate?
methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate has a molecular weight of 394.26 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 18923593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).