(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C17H13ClN2O3 — CID 39196008

IUPAC(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCOc1ccccc1-c1nc2ccc(Cl)cn2c1/C=C/C(=O)O
InChIInChI=1S/C17H13ClN2O3/c1-23-14-5-3-2-4-12(14)17-13(7-9-16(21)22)20-10-11(18)6-8-15(20)19-17/h2-10H,1H3,(H,21,22)/b9-7+
InChIKeyFXHQLNLVLKMQCT-VQHVLOKHSA-N
MW328.76 g/mol
LogP3.76
Rot. Bonds4

About (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 39196008) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID39196008
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCOc1ccccc1-c1nc2ccc(Cl)cn2c1/C=C/C(=O)O
InChIInChI=1S/C17H13ClN2O3/c1-23-14-5-3-2-4-12(14)17-13(7-9-16(21)22)20-10-11(18)6-8-15(20)19-17/h2-10H,1H3,(H,21,22)/b9-7+
InChIKeyFXHQLNLVLKMQCT-VQHVLOKHSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196006
N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 5212079
3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195789
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768
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
(E)-3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195829
(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 10206708
2-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-6-methylimidazo[1,2-a]pyridine
CID 132572546
(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39195917
2-chloro-N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylacetamide
CID 42693897
(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530341

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 39196008) is (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is COc1ccccc1-c1nc2ccc(Cl)cn2c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is FXHQLNLVLKMQCT-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-14-5-3-2-4-12(14)17-13(7-9-16(21)22)20-10-11(18)6-8-15(20)19-17/h2-10H,1H3,(H,21,22)/b9-7+.
What are the key properties of (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 328.76 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 39196008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).