3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

C28H31N5O4 — CID 46943947

IUPAC3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1ccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(C(=O)NCCN(C)C)c4)cn23)cc1OC
InChIInChI=1S/C28H31N5O4/c1-18(34)31-23-14-22(19-7-6-8-21(13-19)28(35)29-11-12-32(2)3)17-33-24(16-30-27(23)33)20-9-10-25(36-4)26(15-20)37-5/h6-10,13-17H,11-12H2,1-5H3,(H,29,35)(H,31,34)
InChIKeyDRPPNCLGZPXCBP-UHFFFAOYSA-N
MW501.59 g/mol
LogP3.94
Rot. Bonds9

About 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 46943947) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID46943947
Molecular FormulaC28H31N5O4
Molecular Weight501.59 g/mol
Exact Mass501.24
IUPAC Name3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1ccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(C(=O)NCCN(C)C)c4)cn23)cc1OC
InChIInChI=1S/C28H31N5O4/c1-18(34)31-23-14-22(19-7-6-8-21(13-19)28(35)29-11-12-32(2)3)17-33-24(16-30-27(23)33)20-9-10-25(36-4)26(15-20)37-5/h6-10,13-17H,11-12H2,1-5H3,(H,29,35)(H,31,34)
InChIKeyDRPPNCLGZPXCBP-UHFFFAOYSA-N
XLogP3.94
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 46943947) is 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(C(=O)NCCN(C)C)c4)cn23)cc1OC.
What is the InChIKey of 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is DRPPNCLGZPXCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-18(34)31-23-14-22(19-7-6-8-21(13-19)28(35)29-11-12-32(2)3)17-33-24(16-30-27(23)33)20-9-10-25(36-4)26(15-20)37-5/h6-10,13-17H,11-12H2,1-5H3,(H,29,35)(H,31,34).
What are the key properties of 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 501.59 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 46943947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).