6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one

C44H50Cl2N6O3 — CID 157247920

IUPAC6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CO)C1.CCCC1CC(=O)N(Cc2c(-c3ccc(C)cc3)nc3ccc(Cl)cn23)C1.Cc1ccc(-c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H24ClN3O.C14H11ClN2.C8H15NO2/c1-3-4-16-11-21(27)25(12-16)14-19-22(17-7-5-15(2)6-8-17)24-20-10-9-18(23)13-26(19)20;1-10-2-4-11(5-3-10)13-9-17-8-12(15)6-7-14(17)16-13;1-2-3-7-4-8(11)9(5-7)6-10/h5-10,13,16H,3-4,11-12,14H2,1-2H3;2-9H,1H3;7,10H,2-6H2,1H3
InChIKeyAVZRTTROOUEKIC-UHFFFAOYSA-N
MW781.83 g/mol
LogP9.66
Rot. Bonds9

About 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one

6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one (PubChem CID 157247920) has the molecular formula C44H50Cl2N6O3 and a molecular weight of 781.83 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one
PubChem CID157247920
Molecular FormulaC44H50Cl2N6O3
Molecular Weight781.83 g/mol
Exact Mass780.33
IUPAC Name6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CO)C1.CCCC1CC(=O)N(Cc2c(-c3ccc(C)cc3)nc3ccc(Cl)cn23)C1.Cc1ccc(-c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H24ClN3O.C14H11ClN2.C8H15NO2/c1-3-4-16-11-21(27)25(12-16)14-19-22(17-7-5-15(2)6-8-17)24-20-10-9-18(23)13-26(19)20;1-10-2-4-11(5-3-10)13-9-17-8-12(15)6-7-14(17)16-13;1-2-3-7-4-8(11)9(5-7)6-10/h5-10,13,16H,3-4,11-12,14H2,1-2H3;2-9H,1H3;7,10H,2-6H2,1H3
InChIKeyAVZRTTROOUEKIC-UHFFFAOYSA-N
XLogP9.66
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.83
LogP ≤ 59.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one?
The IUPAC name of 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one (CID 157247920) is 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one.
What is the SMILES notation for 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one?
The canonical SMILES for 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CO)C1.CCCC1CC(=O)N(Cc2c(-c3ccc(C)cc3)nc3ccc(Cl)cn23)C1.Cc1ccc(-c2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one?
The InChIKey is AVZRTTROOUEKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O.C14H11ClN2.C8H15NO2/c1-3-4-16-11-21(27)25(12-16)14-19-22(17-7-5-15(2)6-8-17)24-20-10-9-18(23)13-26(19)20;1-10-2-4-11(5-3-10)13-9-17-8-12(15)6-7-14(17)16-13;1-2-3-7-4-8(11)9(5-7)6-10/h5-10,13,16H,3-4,11-12,14H2,1-2H3;2-9H,1H3;7,10H,2-6H2,1H3.
What are the key properties of 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one?
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one has a molecular weight of 781.83 g/mol, XLogP of 9.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;1-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-(hydroxymethyl)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 157247920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).