3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide

C21H22N4O3 — CID 97446920

IUPAC3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide
SMILESCOCCn1cnc(-c2cc(C(=O)NCc3ccc(C)o3)c3ccccn23)c1
InChIInChI=1S/C21H22N4O3/c1-15-6-7-16(28-15)12-22-21(26)17-11-20(25-8-4-3-5-19(17)25)18-13-24(14-23-18)9-10-27-2/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,22,26)
InChIKeyUAOSMTQOANHFFU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.28
Rot. Bonds7

About 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide

3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide (PubChem CID 97446920) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide
PubChem CID97446920
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide
SMILESCOCCn1cnc(-c2cc(C(=O)NCc3ccc(C)o3)c3ccccn23)c1
InChIInChI=1S/C21H22N4O3/c1-15-6-7-16(28-15)12-22-21(26)17-11-20(25-8-4-3-5-19(17)25)18-13-24(14-23-18)9-10-27-2/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,22,26)
InChIKeyUAOSMTQOANHFFU-UHFFFAOYSA-N
XLogP3.28
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide
CID 97446919
N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
CID 97446923
3-(1-benzyl-2-methylimidazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447191
2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731629
3-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methoxyethyl)indolizine-1-carboxamide
CID 97407423
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide
CID 97446925
1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide
CID 3594007
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
N-(cyclopropylmethyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide
CID 97446716
N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
CID 97446967
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide?
The IUPAC name of 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide (CID 97446920) is 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide.
What is the SMILES notation for 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide?
The canonical SMILES for 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide is COCCn1cnc(-c2cc(C(=O)NCc3ccc(C)o3)c3ccccn23)c1.
What is the InChIKey of 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide?
The InChIKey is UAOSMTQOANHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-6-7-16(28-15)12-22-21(26)17-11-20(25-8-4-3-5-19(17)25)18-13-24(14-23-18)9-10-27-2/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,22,26).
What are the key properties of 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide?
3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide is sourced from PubChem (CID 97446920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).