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

C37H31F6N13O5 — CID 167622688

IUPAC2-[(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
SMILESCn1nc(CC(=O)COc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.Cn1nc(N)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3cnccn23)cn1
InChIInChI=1S/C19H15F3N6O2.C13H10N4O3.C5H6F3N3/c1-27-16(19(20,21)22)7-13(26-27)6-14(29)11-30-18-3-2-12(8-25-18)15-9-24-17-10-23-4-5-28(15)17;18-13(19)8-20-12-2-1-9(5-16-12)10-6-15-11-7-14-3-4-17(10)11;1-11-3(5(6,7)8)2-4(9)10-11/h2-5,7-10H,6,11H2,1H3;1-7H,8H2,(H,18,19);2H,1H3,(H2,9,10)
InChIKeyMQWOOIZFQJYAHY-UHFFFAOYSA-N
MW851.73 g/mol
LogP5.01
Rot. Bonds10

About 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

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 (PubChem CID 167622688) has the molecular formula C37H31F6N13O5 and a molecular weight of 851.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID167622688
Molecular FormulaC37H31F6N13O5
Molecular Weight851.73 g/mol
Exact Mass851.25
IUPAC Name2-[(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
SMILESCn1nc(CC(=O)COc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.Cn1nc(N)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3cnccn23)cn1
InChIInChI=1S/C19H15F3N6O2.C13H10N4O3.C5H6F3N3/c1-27-16(19(20,21)22)7-13(26-27)6-14(29)11-30-18-3-2-12(8-25-18)15-9-24-17-10-23-4-5-28(15)17;18-13(19)8-20-12-2-1-9(5-16-12)10-6-15-11-7-14-3-4-17(10)11;1-11-3(5(6,7)8)2-4(9)10-11/h2-5,7-10H,6,11H2,1H3;1-7H,8H2,(H,18,19);2H,1H3,(H2,9,10)
InChIKeyMQWOOIZFQJYAHY-UHFFFAOYSA-N
XLogP5.01
TPSA220.65 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500851.73
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 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 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
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-[(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
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
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
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
tert-butyl N-[(3R,4R)-1-[6-[[1-[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]ethyl]-3-methoxypyrazol-4-yl]amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]carbamate
CID 175886981
1-[(5-Imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
CID 167560430
1-[(5-Imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
CID 167622689

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(CC(=O)COc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.Cn1nc(N)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3cnccn23)cn1.
What is the InChIKey of 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?
The InChIKey is MQWOOIZFQJYAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2.C13H10N4O3.C5H6F3N3/c1-27-16(19(20,21)22)7-13(26-27)6-14(29)11-30-18-3-2-12(8-25-18)15-9-24-17-10-23-4-5-28(15)17;18-13(19)8-20-12-2-1-9(5-16-12)10-6-15-11-7-14-3-4-17(10)11;1-11-3(5(6,7)8)2-4(9)10-11/h2-5,7-10H,6,11H2,1H3;1-7H,8H2,(H,18,19);2H,1H3,(H2,9,10).
What are the key properties of 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?
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 has a molecular weight of 851.73 g/mol, XLogP of 5.01, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167622688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).