2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide

C26H29N5O3 — CID 67351569

IUPAC2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
SMILESCCc1cc(OC)cc(OCC(N)=O)c1-c1nc2c(N)cccn2c1Nc1c(C)cccc1C
InChIInChI=1S/C26H29N5O3/c1-5-17-12-18(33-4)13-20(34-14-21(28)32)22(17)24-26(29-23-15(2)8-6-9-16(23)3)31-11-7-10-19(27)25(31)30-24/h6-13,29H,5,14,27H2,1-4H3,(H2,28,32)
InChIKeyLCWLPQJMMGGFIE-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.38
Rot. Bonds8

About 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide

2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide (PubChem CID 67351569) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
PubChem CID67351569
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
SMILESCCc1cc(OC)cc(OCC(N)=O)c1-c1nc2c(N)cccn2c1Nc1c(C)cccc1C
InChIInChI=1S/C26H29N5O3/c1-5-17-12-18(33-4)13-20(34-14-21(28)32)22(17)24-26(29-23-15(2)8-6-9-16(23)3)31-11-7-10-19(27)25(31)30-24/h6-13,29H,5,14,27H2,1-4H3,(H2,28,32)
InChIKeyLCWLPQJMMGGFIE-UHFFFAOYSA-N
XLogP4.38
TPSA116.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide (CID 67351569) is 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide is CCc1cc(OC)cc(OCC(N)=O)c1-c1nc2c(N)cccn2c1Nc1c(C)cccc1C.
What is the InChIKey of 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The InChIKey is LCWLPQJMMGGFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-5-17-12-18(33-4)13-20(34-14-21(28)32)22(17)24-26(29-23-15(2)8-6-9-16(23)3)31-11-7-10-19(27)25(31)30-24/h6-13,29H,5,14,27H2,1-4H3,(H2,28,32).
What are the key properties of 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide has a molecular weight of 459.55 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide is sourced from PubChem (CID 67351569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).