[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide

C30H26Cl2N6O3 — CID 67122989

IUPAC[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.Nc1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1
InChIInChI=1S/C16H14ClN3O2.C14H12ClN3O/c1-10(22)18-13-6-7-15-19-16(14(9-21)20(15)8-13)11-2-4-12(17)5-3-11;15-10-3-1-9(2-4-10)14-12(8-19)18-7-11(16)5-6-13(18)17-14/h2-8,21H,9H2,1H3,(H,18,22);1-7,19H,8,16H2
InChIKeyJZHUEALOPUNHAE-UHFFFAOYSA-N
MW589.48 g/mol
LogP5.83
Rot. Bonds5

About [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide

[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 67122989) has the molecular formula C30H26Cl2N6O3 and a molecular weight of 589.48 g/mol. Its IUPAC name is [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID67122989
Molecular FormulaC30H26Cl2N6O3
Molecular Weight589.48 g/mol
Exact Mass588.14
IUPAC Name[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.Nc1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1
InChIInChI=1S/C16H14ClN3O2.C14H12ClN3O/c1-10(22)18-13-6-7-15-19-16(14(9-21)20(15)8-13)11-2-4-12(17)5-3-11;15-10-3-1-9(2-4-10)14-12(8-19)18-7-11(16)5-6-13(18)17-14/h2-8,21H,9H2,1H3,(H,18,22);1-7,19H,8,16H2
InChIKeyJZHUEALOPUNHAE-UHFFFAOYSA-N
XLogP5.83
TPSA130.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.48
LogP ≤ 55.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide (CID 67122989) is [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.Nc1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.
What is the InChIKey of [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is JZHUEALOPUNHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2.C14H12ClN3O/c1-10(22)18-13-6-7-15-19-16(14(9-21)20(15)8-13)11-2-4-12(17)5-3-11;15-10-3-1-9(2-4-10)14-12(8-19)18-7-11(16)5-6-13(18)17-14/h2-8,21H,9H2,1H3,(H,18,22);1-7,19H,8,16H2.
What are the key properties of [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide?
[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 589.48 g/mol, XLogP of 5.83, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 67122989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).