3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile

C62H48N10O7 — CID 158215393

IUPAC3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCOCc1c(-c2cc3cc(OC)ccc3o2)nc2cc(C#N)ccn12.COc1ccc2oc(-c3cn4ccc(C#N)cc4n3)cc2c1.COc1ccc2oc(-c3nc4cc(C#N)ccn4c3CN(C)Cc3ccccc3)cc2c1
InChIInChI=1S/C26H22N4O2.C19H15N3O3.C17H11N3O2/c1-29(16-18-6-4-3-5-7-18)17-22-26(28-25-12-19(15-27)10-11-30(22)25)24-14-20-13-21(31-2)8-9-23(20)32-24;1-23-11-15-19(21-18-7-12(10-20)5-6-22(15)18)17-9-13-8-14(24-2)3-4-16(13)25-17;1-21-13-2-3-15-12(7-13)8-16(22-15)14-10-20-5-4-11(9-18)6-17(20)19-14/h3-14H,16-17H2,1-2H3;3-9H,11H2,1-2H3;2-8,10H,1H3
InChIKeyGCOVOQHECVZRIK-UHFFFAOYSA-N
MW1045.13 g/mol
LogP12.66
Rot. Bonds12

About 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile

3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 158215393) has the molecular formula C62H48N10O7 and a molecular weight of 1045.13 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
PubChem CID158215393
Molecular FormulaC62H48N10O7
Molecular Weight1045.13 g/mol
Exact Mass1044.37
IUPAC Name3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCOCc1c(-c2cc3cc(OC)ccc3o2)nc2cc(C#N)ccn12.COc1ccc2oc(-c3cn4ccc(C#N)cc4n3)cc2c1.COc1ccc2oc(-c3nc4cc(C#N)ccn4c3CN(C)Cc3ccccc3)cc2c1
InChIInChI=1S/C26H22N4O2.C19H15N3O3.C17H11N3O2/c1-29(16-18-6-4-3-5-7-18)17-22-26(28-25-12-19(15-27)10-11-30(22)25)24-14-20-13-21(31-2)8-9-23(20)32-24;1-23-11-15-19(21-18-7-12(10-20)5-6-22(15)18)17-9-13-8-14(24-2)3-4-16(13)25-17;1-21-13-2-3-15-12(7-13)8-16(22-15)14-10-20-5-4-11(9-18)6-17(20)19-14/h3-14H,16-17H2,1-2H3;3-9H,11H2,1-2H3;2-8,10H,1H3
InChIKeyGCOVOQHECVZRIK-UHFFFAOYSA-N
XLogP12.66
TPSA202.85 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.13
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile with MolForge

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Related Compounds

3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 131975057
1-(3-methoxyphenyl)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 30136620
tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid
CID 130475704
2-(1-benzofuran-2-yl)-6-methoxyimidazo[1,2-a]pyridine
CID 25014929
3-fluoro-4-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 32690208
3-[[benzyl(methyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-6-amine
CID 39130256
2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
CID 170451678
2-(5-bromofuran-2-yl)-7-methoxyimidazo[1,2-a]pyridine
CID 117134754
3-[(3-cyanophenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651997
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
5-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 1426435
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 60646313

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile (CID 158215393) is 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile is COCc1c(-c2cc3cc(OC)ccc3o2)nc2cc(C#N)ccn12.COc1ccc2oc(-c3cn4ccc(C#N)cc4n3)cc2c1.COc1ccc2oc(-c3nc4cc(C#N)ccn4c3CN(C)Cc3ccccc3)cc2c1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The InChIKey is GCOVOQHECVZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2.C19H15N3O3.C17H11N3O2/c1-29(16-18-6-4-3-5-7-18)17-22-26(28-25-12-19(15-27)10-11-30(22)25)24-14-20-13-21(31-2)8-9-23(20)32-24;1-23-11-15-19(21-18-7-12(10-20)5-6-22(15)18)17-9-13-8-14(24-2)3-4-16(13)25-17;1-21-13-2-3-15-12(7-13)8-16(22-15)14-10-20-5-4-11(9-18)6-17(20)19-14/h3-14H,16-17H2,1-2H3;3-9H,11H2,1-2H3;2-8,10H,1H3.
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?
3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 1045.13 g/mol, XLogP of 12.66, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 158215393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).