2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

C28H28F3N5O2 — CID 123202565

IUPAC2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccn5ccnc45)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C28H28F3N5O2/c1-34-13-15-35(16-14-34)18-21-4-7-22(17-25(21)28(29,30)31)33-26(37)19-38-23-8-5-20(6-9-23)24-3-2-11-36-12-10-32-27(24)36/h2-12,17H,13-16,18-19H2,1H3,(H,33,37)
InChIKeyRTXAJHPYJOSORH-UHFFFAOYSA-N
MW523.56 g/mol
LogP4.78
Rot. Bonds7

About 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 123202565) has the molecular formula C28H28F3N5O2 and a molecular weight of 523.56 g/mol. Its IUPAC name is 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID123202565
Molecular FormulaC28H28F3N5O2
Molecular Weight523.56 g/mol
Exact Mass523.22
IUPAC Name2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccn5ccnc45)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C28H28F3N5O2/c1-34-13-15-35(16-14-34)18-21-4-7-22(17-25(21)28(29,30)31)33-26(37)19-38-23-8-5-20(6-9-23)24-3-2-11-36-12-10-32-27(24)36/h2-12,17H,13-16,18-19H2,1H3,(H,33,37)
InChIKeyRTXAJHPYJOSORH-UHFFFAOYSA-N
XLogP4.78
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
Imidazopyridine-urea,42
CID 10117977
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 76071870
N-propan-2-yl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
CID 134179300
N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide
CID 155803650
6-(6-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one
CID 3584203
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenoxyacetamide
CID 6463883
1-(2,4-Diethoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11512683
1-(2-Methoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11591872
1-(2,4-Dimethoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11606531
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251796
2-[4-(6-acetamidopyridin-3-yl)phenoxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 76070594

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (CID 123202565) is 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is CN1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccn5ccnc45)cc3)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RTXAJHPYJOSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O2/c1-34-13-15-35(16-14-34)18-21-4-7-22(17-25(21)28(29,30)31)33-26(37)19-38-23-8-5-20(6-9-23)24-3-2-11-36-12-10-32-27(24)36/h2-12,17H,13-16,18-19H2,1H3,(H,33,37).
What are the key properties of 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 523.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 123202565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).