magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide

C88H80BrF10MgN15O8 — CID 158980010

IUPACmagnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide
SMILESC1CCOC1.CC(=O)c1ccn2c(N)c(-c3ccccc3)nc2c1.CC(=O)c1ccn2c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)c(-c3ccccc3)nc2c1.Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C(C)(C)O)ccn34)ccc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)ccc2C(F)(F)F)n1.[2H]CF.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C28H24F3N5O2.C27H20F3N5O2.C15H13N3O.C12H9F3N2O2.C4H8O.CH3F.CH3.BrH.Mg/c1-27(2,38)19-11-14-36-23(16-19)32-24(17-7-5-4-6-8-17)25(36)33-26(37)18-9-10-21(28(29,30)31)20(15-18)22-12-13-35(3)34-22;1-16(36)18-10-13-35-23(15-18)31-24(17-6-4-3-5-7-17)25(35)32-26(37)19-8-9-21(27(28,29)30)20(14-19)22-11-12-34(2)33-22;1-10(19)12-7-8-18-13(9-12)17-14(15(18)16)11-5-3-2-4-6-11;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;1-2-4-5-3-1;1-2;;;/h4-16,38H,1-3H3,(H,33,37);3-15H,1-2H3,(H,32,37);2-9H,16H2,1H3;2-6H,1H3,(H,18,19);1-4H2;1H3;1H3;1H;/q;;;;;;-1;;+2/p-1/i;;;;;1D;;;
InChIKeyDFPJPIWNQMSFPN-MQTHTPQTSA-M
MW1770.90 g/mol
LogP15.82
Rot. Bonds14

About magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide

magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide (PubChem CID 158980010) has the molecular formula C88H80BrF10MgN15O8 and a molecular weight of 1770.90 g/mol. Its IUPAC name is magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide
PubChem CID158980010
Molecular FormulaC88H80BrF10MgN15O8
Molecular Weight1770.90 g/mol
Exact Mass1768.53
IUPAC Namemagnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide
SMILESC1CCOC1.CC(=O)c1ccn2c(N)c(-c3ccccc3)nc2c1.CC(=O)c1ccn2c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)c(-c3ccccc3)nc2c1.Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C(C)(C)O)ccn34)ccc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)ccc2C(F)(F)F)n1.[2H]CF.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C28H24F3N5O2.C27H20F3N5O2.C15H13N3O.C12H9F3N2O2.C4H8O.CH3F.CH3.BrH.Mg/c1-27(2,38)19-11-14-36-23(16-19)32-24(17-7-5-4-6-8-17)25(36)33-26(37)18-9-10-21(28(29,30)31)20(15-18)22-12-13-35(3)34-22;1-16(36)18-10-13-35-23(15-18)31-24(17-6-4-3-5-7-17)25(35)32-26(37)19-8-9-21(27(28,29)30)20(14-19)22-11-12-34(2)33-22;1-10(19)12-7-8-18-13(9-12)17-14(15(18)16)11-5-3-2-4-6-11;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;1-2-4-5-3-1;1-2;;;/h4-16,38H,1-3H3,(H,33,37);3-15H,1-2H3,(H,32,37);2-9H,16H2,1H3;2-6H,1H3,(H,18,19);1-4H2;1H3;1H3;1H;/q;;;;;;-1;;+2/p-1/i;;;;;1D;;;
InChIKeyDFPJPIWNQMSFPN-MQTHTPQTSA-M
XLogP15.82
TPSA290.48 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.90
LogP ≤ 515.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide?
The IUPAC name of magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide (CID 158980010) is magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide.
What is the SMILES notation for magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide?
The canonical SMILES for magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide is C1CCOC1.CC(=O)c1ccn2c(N)c(-c3ccccc3)nc2c1.CC(=O)c1ccn2c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)c(-c3ccccc3)nc2c1.Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C(C)(C)O)ccn34)ccc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)ccc2C(F)(F)F)n1.[2H]CF.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide?
The InChIKey is DFPJPIWNQMSFPN-MQTHTPQTSA-M. The full InChI is InChI=1S/C28H24F3N5O2.C27H20F3N5O2.C15H13N3O.C12H9F3N2O2.C4H8O.CH3F.CH3.BrH.Mg/c1-27(2,38)19-11-14-36-23(16-19)32-24(17-7-5-4-6-8-17)25(36)33-26(37)18-9-10-21(28(29,30)31)20(15-18)22-12-13-35(3)34-22;1-16(36)18-10-13-35-23(15-18)31-24(17-6-4-3-5-7-17)25(35)32-26(37)19-8-9-21(27(28,29)30)20(14-19)22-11-12-34(2)33-22;1-10(19)12-7-8-18-13(9-12)17-14(15(18)16)11-5-3-2-4-6-11;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;1-2-4-5-3-1;1-2;;;/h4-16,38H,1-3H3,(H,33,37);3-15H,1-2H3,(H,32,37);2-9H,16H2,1H3;2-6H,1H3,(H,18,19);1-4H2;1H3;1H3;1H;/q;;;;;;-1;;+2/p-1/i;;;;;1D;;;.
What are the key properties of magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide?
magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide has a molecular weight of 1770.90 g/mol, XLogP of 15.82, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide is sourced from PubChem (CID 158980010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).