7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide

C16H13F3N4O2 — CID 171819844

IUPAC7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)cn2cc(C(F)(F)F)nc12
InChIInChI=1S/C16H13F3N4O2/c1-7-8(3-2-4-10(7)24)12-13(20)9(14(21)25)5-23-6-11(16(17,18)19)22-15(12)23/h2-6,24H,20H2,1H3,(H2,21,25)
InChIKeyWCYWOIDMGGOSFE-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.72
Rot. Bonds2

About 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide

7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 171819844) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID171819844
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)cn2cc(C(F)(F)F)nc12
InChIInChI=1S/C16H13F3N4O2/c1-7-8(3-2-4-10(7)24)12-13(20)9(14(21)25)5-23-6-11(16(17,18)19)22-15(12)23/h2-6,24H,20H2,1H3,(H2,21,25)
InChIKeyWCYWOIDMGGOSFE-UHFFFAOYSA-N
XLogP2.72
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Myt1-IN-3
CID 156869367
3-[3-(4-hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethyl-benzamide
CID 137120130
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
6-Amino-2-(3,5-difluoro-2-pyridinyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
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6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869646
2-Hydroxy-5-imidazo[1,2-a]pyridin-2-ylbenzamide
CID 134149357
4-[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 145966011
[4-[3-(3-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 145972578
(5-Fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
CID 3602941
3-[3-(3-Hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 126673149
US10780092, Example 76-B
CID 132145413

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 171819844) is 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1c(O)cccc1-c1c(N)c(C(N)=O)cn2cc(C(F)(F)F)nc12.
What is the InChIKey of 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is WCYWOIDMGGOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-7-8(3-2-4-10(7)24)12-13(20)9(14(21)25)5-23-6-11(16(17,18)19)22-15(12)23/h2-6,24H,20H2,1H3,(H2,21,25).
What are the key properties of 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-(3-hydroxy-2-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 171819844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).