N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C20H21N3O3 — CID 154686025

IUPACN-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCOC(O)c1ccc(C)c(-c2ccc3nc(NC(=O)C4CC4)cn3c2)c1
InChIInChI=1S/C20H21N3O3/c1-12-3-4-14(20(25)26-2)9-16(12)15-7-8-18-21-17(11-23(18)10-15)22-19(24)13-5-6-13/h3-4,7-11,13,20,25H,5-6H2,1-2H3,(H,22,24)
InChIKeyZETCFSXZXOOZNX-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.30
Rot. Bonds5

About N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 154686025) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID154686025
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCOC(O)c1ccc(C)c(-c2ccc3nc(NC(=O)C4CC4)cn3c2)c1
InChIInChI=1S/C20H21N3O3/c1-12-3-4-14(20(25)26-2)9-16(12)15-7-8-18-21-17(11-23(18)10-15)22-19(24)13-5-6-13/h3-4,7-11,13,20,25H,5-6H2,1-2H3,(H,22,24)
InChIKeyZETCFSXZXOOZNX-UHFFFAOYSA-N
XLogP3.30
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3,4-difluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155081984
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
2-fluoro-N-[6-(5-hydroxy-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686201
N-[6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686210
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
N-[6-[2-fluoro-6-(hydroxymethyl)-4-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686347
N-[6-(6-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155082189
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069370
cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069438
(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118980667
2-fluoro-N-[6-(4-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686230
N-[6-[5-(methylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 164718424

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 154686025) is N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is COC(O)c1ccc(C)c(-c2ccc3nc(NC(=O)C4CC4)cn3c2)c1.
What is the InChIKey of N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZETCFSXZXOOZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-3-4-14(20(25)26-2)9-16(12)15-7-8-18-21-17(11-23(18)10-15)22-19(24)13-5-6-13/h3-4,7-11,13,20,25H,5-6H2,1-2H3,(H,22,24).
What are the key properties of N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154686025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).