(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate

C19H17N2O4- — CID 7023668

IUPAC(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])cc1OC
InChIInChI=1S/C19H18N2O4/c1-12-8-9-21-14(5-7-18(22)23)19(20-17(21)10-12)13-4-6-15(24-2)16(11-13)25-3/h4-11H,1-3H3,(H,22,23)/p-1/b7-5+
InChIKeyGTMWZZBAUINJPT-FNORWQNLSA-M
MW337.36 g/mol
LogP2.09
Rot. Bonds5

About (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate

(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate (PubChem CID 7023668) has the molecular formula C19H17N2O4- and a molecular weight of 337.36 g/mol. Its IUPAC name is (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
PubChem CID7023668
Molecular FormulaC19H17N2O4-
Molecular Weight337.36 g/mol
Exact Mass337.12
IUPAC Name(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])cc1OC
InChIInChI=1S/C19H18N2O4/c1-12-8-9-21-14(5-7-18(22)23)19(20-17(21)10-12)13-4-6-15(24-2)16(11-13)25-3/h4-11H,1-3H3,(H,22,23)/p-1/b7-5+
InChIKeyGTMWZZBAUINJPT-FNORWQNLSA-M
XLogP2.09
TPSA75.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023667
(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7015432
2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 117068595
3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2756936
(Z)-3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908070
(2R)-2-chloro-N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016814
2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
(E)-3-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42693785
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944
2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2758460
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate (CID 7023668) is (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate is COc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])cc1OC.
What is the InChIKey of (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is GTMWZZBAUINJPT-FNORWQNLSA-M. The full InChI is InChI=1S/C19H18N2O4/c1-12-8-9-21-14(5-7-18(22)23)19(20-17(21)10-12)13-4-6-15(24-2)16(11-13)25-3/h4-11H,1-3H3,(H,22,23)/p-1/b7-5+.
What are the key properties of (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate has a molecular weight of 337.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 7023668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).