methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate

C19H18N2O3 — CID 122376408

IUPACmethyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(OC)ccc1-c1cn2ccc(C)cc2n1
InChIInChI=1S/C19H18N2O3/c1-13-8-9-21-12-17(20-18(21)10-13)16-6-5-15(23-2)11-14(16)4-7-19(22)24-3/h4-12H,1-3H3/b7-4+
InChIKeyZLZAVTXOBRTTRU-QPJJXVBHSA-N
MW322.36 g/mol
LogP3.50
Rot. Bonds4

About methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate

methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate (PubChem CID 122376408) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate
PubChem CID122376408
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(OC)ccc1-c1cn2ccc(C)cc2n1
InChIInChI=1S/C19H18N2O3/c1-13-8-9-21-12-17(20-18(21)10-13)16-6-5-15(23-2)11-14(16)4-7-19(22)24-3/h4-12H,1-3H3/b7-4+
InChIKeyZLZAVTXOBRTTRU-QPJJXVBHSA-N
XLogP3.50
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(5-methoxy-2-methylphenyl)prop-2-enoate
CID 13415110
N-(2,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172222
2-bromo-5-methoxy-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283799
1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121089854
3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 122322901
2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357020
dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
CID 168570718
2-(1,3-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-a]pyridine
CID 113303289
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122322731
2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234074
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 94169651
[2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
CID 67285844

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate (CID 122376408) is methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate is COC(=O)/C=C/c1cc(OC)ccc1-c1cn2ccc(C)cc2n1.
What is the InChIKey of methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate?
The InChIKey is ZLZAVTXOBRTTRU-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-8-9-21-12-17(20-18(21)10-13)16-6-5-15(23-2)11-14(16)4-7-19(22)24-3/h4-12H,1-3H3/b7-4+.
What are the key properties of methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate?
methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate has a molecular weight of 322.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[5-methoxy-2-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enoate is sourced from PubChem (CID 122376408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).