2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

C39H33F6N11O5 — CID 167680525

IUPAC2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCn1nc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.Cn1nc(N)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1
InChIInChI=1S/C20H16F3N5O2.C14H11N3O3.C5H6F3N3/c1-27-17(20(21,22)23)9-14(26-27)8-15(29)12-30-19-6-5-13(10-25-19)16-11-24-18-4-2-3-7-28(16)18;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-11-3(5(6,7)8)2-4(9)10-11/h2-7,9-11H,8,12H2,1H3;1-8H,9H2,(H,18,19);2H,1H3,(H2,9,10)
InChIKeyVLWPKSQQOJJDAP-UHFFFAOYSA-N
MW849.75 g/mol
LogP6.22
Rot. Bonds10

About 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 167680525) has the molecular formula C39H33F6N11O5 and a molecular weight of 849.75 g/mol. Its IUPAC name is 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID167680525
Molecular FormulaC39H33F6N11O5
Molecular Weight849.75 g/mol
Exact Mass849.26
IUPAC Name2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCn1nc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.Cn1nc(N)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1
InChIInChI=1S/C20H16F3N5O2.C14H11N3O3.C5H6F3N3/c1-27-17(20(21,22)23)9-14(26-27)8-15(29)12-30-19-6-5-13(10-25-19)16-11-24-18-4-2-3-7-28(16)18;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-11-3(5(6,7)8)2-4(9)10-11/h2-7,9-11H,8,12H2,1H3;1-8H,9H2,(H,18,19);2H,1H3,(H2,9,10)
InChIKeyVLWPKSQQOJJDAP-UHFFFAOYSA-N
XLogP6.22
TPSA194.87 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.75
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine with MolForge

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Related Compounds

3-Bromoimidazo[1,2-a]pyridine;ethyl 2-hydroxyacetate;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 167560429
2-[(5-Imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 167622688
ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine
CID 167640821
2-[(2S)-1-[7-[[6-[2-[2-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 168196387
tert-butyl N-[(3R,4R)-1-[6-[[1-[2-[2-[2-[2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxypyrazol-4-yl]amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]carbamate
CID 168196587
2-[(2S)-1-[7-[[6-[2-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 168196604
2-[(2S)-1-[7-[[6-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 175886505
tert-butyl N-[(3R,4R)-1-[6-[[1-[2-[2-[2-[2-[2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxypyrazol-4-yl]amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]carbamate
CID 175886518
2-[(3R,4R)-1-[6-[[1-[2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl]-3-methoxypyrazol-4-yl]amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide
CID 175886532
1-[(2S)-1-[7-[[6-[2-[2-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 175886624
tert-butyl N-[(3R,4R)-1-[6-[[1-[2-[2-[2-[2-[2-[2-[2-[[5-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxypyrazol-4-yl]amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]carbamate
CID 175886716
2-[(2R)-1-[7-[[6-[2-[2-[2-[2-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 175886784

Frequently Asked Questions

What is the IUPAC name of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (CID 167680525) is 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is Cn1nc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.Cn1nc(N)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1.
What is the InChIKey of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is VLWPKSQQOJJDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2.C14H11N3O3.C5H6F3N3/c1-27-17(20(21,22)23)9-14(26-27)8-15(29)12-30-19-6-5-13(10-25-19)16-11-24-18-4-2-3-7-28(16)18;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-11-3(5(6,7)8)2-4(9)10-11/h2-7,9-11H,8,12H2,1H3;1-8H,9H2,(H,18,19);2H,1H3,(H2,9,10).
What are the key properties of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 849.75 g/mol, XLogP of 6.22, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 167680525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).