4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide

C20H17N4O2+ — CID 123205135

IUPAC4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide
SMILESC=[N+]1C=C(c2cnc3cc(-c4ccccc4)cc(OC)n23)C=C1C(N)=O
InChIInChI=1S/C20H16N4O2/c1-23-12-15(8-16(23)20(21)25)17-11-22-18-9-14(10-19(26-2)24(17)18)13-6-4-3-5-7-13/h3-12H,1H2,2H3,(H-,21,25)/p+1
InChIKeyINAWHPJKFVVCBG-UHFFFAOYSA-O
MW345.38 g/mol
LogP2.45
Rot. Bonds4

About 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide

4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide (PubChem CID 123205135) has the molecular formula C20H17N4O2+ and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide.

Molecular Properties

Compound Name4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide
PubChem CID123205135
Molecular FormulaC20H17N4O2+
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide
SMILESC=[N+]1C=C(c2cnc3cc(-c4ccccc4)cc(OC)n23)C=C1C(N)=O
InChIInChI=1S/C20H16N4O2/c1-23-12-15(8-16(23)20(21)25)17-11-22-18-9-14(10-19(26-2)24(17)18)13-6-4-3-5-7-13/h3-12H,1H2,2H3,(H-,21,25)/p+1
InChIKeyINAWHPJKFVVCBG-UHFFFAOYSA-O
XLogP2.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-7-phenyl-3-thiophen-3-ylimidazo[1,2-a]pyridine
CID 58404744
5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine
CID 58404921
3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine
CID 58404920
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
CID 25262646
6-methoxy-4-phenylpyridine-2-carboxylic acid
CID 133096381
N-[3-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 155548764
3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 56593407
6-phenylpyrimidine-4-carboxamide
CID 12582963
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
CID 25176705

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide?
The IUPAC name of 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide (CID 123205135) is 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide.
What is the SMILES notation for 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide?
The canonical SMILES for 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide is C=[N+]1C=C(c2cnc3cc(-c4ccccc4)cc(OC)n23)C=C1C(N)=O.
What is the InChIKey of 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide?
The InChIKey is INAWHPJKFVVCBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H16N4O2/c1-23-12-15(8-16(23)20(21)25)17-11-22-18-9-14(10-19(26-2)24(17)18)13-6-4-3-5-7-13/h3-12H,1H2,2H3,(H-,21,25)/p+1.
What are the key properties of 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide?
4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide is sourced from PubChem (CID 123205135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).