bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide

C110H103Br3F12N16O9 — CID 161007978

IUPACbis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c4nccn4c3)c2)cc1C(F)(F)F.Cc1ccc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1
InChIInChI=1S/C29H29F3N4O2.2C27H24BrF3N4O2.C18H20N4O.C9H6BrF3O2/c1-3-4-20-6-7-21(15-25(20)29(30,31)32)28(37)34-23-8-5-19(2)24(17-23)22-16-26(35-11-13-38-14-12-35)27-33-9-10-36(27)18-22;2*1-17-2-5-21(33-26(36)18-3-4-19(15-28)23(12-18)27(29,30)31)14-22(17)20-13-24(34-8-10-37-11-9-34)25-32-6-7-35(25)16-20;1-13-2-3-15(19)11-16(13)14-10-17(21-6-8-23-9-7-21)18-20-4-5-22(18)12-14;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13/h5-10,15-18H,3-4,11-14H2,1-2H3,(H,34,37);2*2-7,12-14,16H,8-11,15H2,1H3,(H,33,36);2-5,10-12H,6-9,19H2,1H3;1-3H,4H2,(H,14,15)
InChIKeyTWTICAZPWYTNND-UHFFFAOYSA-N
MW2260.82 g/mol
LogP25.02
Rot. Bonds20

About bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide

bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide (PubChem CID 161007978) has the molecular formula C110H103Br3F12N16O9 and a molecular weight of 2260.82 g/mol. Its IUPAC name is bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Namebis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide
PubChem CID161007978
Molecular FormulaC110H103Br3F12N16O9
Molecular Weight2260.82 g/mol
Exact Mass2256.55
IUPAC Namebis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c4nccn4c3)c2)cc1C(F)(F)F.Cc1ccc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1
InChIInChI=1S/C29H29F3N4O2.2C27H24BrF3N4O2.C18H20N4O.C9H6BrF3O2/c1-3-4-20-6-7-21(15-25(20)29(30,31)32)28(37)34-23-8-5-19(2)24(17-23)22-16-26(35-11-13-38-14-12-35)27-33-9-10-36(27)18-22;2*1-17-2-5-21(33-26(36)18-3-4-19(15-28)23(12-18)27(29,30)31)14-22(17)20-13-24(34-8-10-37-11-9-34)25-32-6-7-35(25)16-20;1-13-2-3-15(19)11-16(13)14-10-17(21-6-8-23-9-7-21)18-20-4-5-22(18)12-14;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13/h5-10,15-18H,3-4,11-14H2,1-2H3,(H,34,37);2*2-7,12-14,16H,8-11,15H2,1H3,(H,33,36);2-5,10-12H,6-9,19H2,1H3;1-3H,4H2,(H,14,15)
InChIKeyTWTICAZPWYTNND-UHFFFAOYSA-N
XLogP25.02
TPSA269.70 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002260.82
LogP ≤ 525.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide?
The IUPAC name of bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide (CID 161007978) is bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide is CCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c4nccn4c3)c2)cc1C(F)(F)F.Cc1ccc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1.
What is the InChIKey of bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide?
The InChIKey is TWTICAZPWYTNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O2.2C27H24BrF3N4O2.C18H20N4O.C9H6BrF3O2/c1-3-4-20-6-7-21(15-25(20)29(30,31)32)28(37)34-23-8-5-19(2)24(17-23)22-16-26(35-11-13-38-14-12-35)27-33-9-10-36(27)18-22;2*1-17-2-5-21(33-26(36)18-3-4-19(15-28)23(12-18)27(29,30)31)14-22(17)20-13-24(34-8-10-37-11-9-34)25-32-6-7-35(25)16-20;1-13-2-3-15(19)11-16(13)14-10-17(21-6-8-23-9-7-21)18-20-4-5-22(18)12-14;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13/h5-10,15-18H,3-4,11-14H2,1-2H3,(H,34,37);2*2-7,12-14,16H,8-11,15H2,1H3,(H,33,36);2-5,10-12H,6-9,19H2,1H3;1-3H,4H2,(H,14,15).
What are the key properties of bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide?
bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 2260.82 g/mol, XLogP of 25.02, 20 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(bromomethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161007978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).