N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane

C47H44BBrF6N12O6 — CID 157460920

IUPACN-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane
SMILESC.CC(=O)Nc1ccc(-c2c(NC(C)=O)nc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cn23)cc1.CC(=O)Nc1ccc(B(O)O)cc1.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1Br
InChIInChI=1S/C23H19F3N6O2.C15H11BrF3N5O.C8H10BNO3.CH4/c1-12(33)29-17-6-3-14(4-7-17)20-22(30-13(2)34)31-19-8-5-15(11-32(19)20)16-9-18(23(24,25)26)21(27)28-10-16;1-7(25)22-14-12(16)24-6-8(2-3-11(24)23-14)9-4-10(15(17,18)19)13(20)21-5-9;1-6(11)10-8-4-2-7(3-5-8)9(12)13;/h3-11H,1-2H3,(H2,27,28)(H,29,33)(H,30,34);2-6H,1H3,(H2,20,21)(H,22,25);2-5,12-13H,1H3,(H,10,11);1H4
InChIKeyBTXJQOBTNDJIHX-UHFFFAOYSA-N
MW1077.65 g/mol
LogP8.26
Rot. Bonds8

About N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane

N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane (PubChem CID 157460920) has the molecular formula C47H44BBrF6N12O6 and a molecular weight of 1077.65 g/mol. Its IUPAC name is N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane.

Molecular Properties

Compound NameN-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane
PubChem CID157460920
Molecular FormulaC47H44BBrF6N12O6
Molecular Weight1077.65 g/mol
Exact Mass1076.27
IUPAC NameN-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane
SMILESC.CC(=O)Nc1ccc(-c2c(NC(C)=O)nc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cn23)cc1.CC(=O)Nc1ccc(B(O)O)cc1.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1Br
InChIInChI=1S/C23H19F3N6O2.C15H11BrF3N5O.C8H10BNO3.CH4/c1-12(33)29-17-6-3-14(4-7-17)20-22(30-13(2)34)31-19-8-5-15(11-32(19)20)16-9-18(23(24,25)26)21(27)28-10-16;1-7(25)22-14-12(16)24-6-8(2-3-11(24)23-14)9-4-10(15(17,18)19)13(20)21-5-9;1-6(11)10-8-4-2-7(3-5-8)9(12)13;/h3-11H,1-2H3,(H2,27,28)(H,29,33)(H,30,34);2-6H,1H3,(H2,20,21)(H,22,25);2-5,12-13H,1H3,(H,10,11);1H4
InChIKeyBTXJQOBTNDJIHX-UHFFFAOYSA-N
XLogP8.26
TPSA269.28 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001077.65
LogP ≤ 58.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane with MolForge

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Related Compounds

1-[3-[7-[6-(4-Acetylpiperazin-1-yl)pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44548047
N-[6-[4-(4-methylpiperazino)phenyl]-3-phenyl-imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49791256
US9981944, Example 77
CID 122478435
US9981944, Example 66
CID 122478663
US11420970, Example 64
CID 156073228
N-[3-(4-fluorophenyl)-6-[4-(4-methylpiperazino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49786875
2-(4-methylpiperazin-1-yl)-N-[4-[3-[(4-phenylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]acetamide
CID 172469884
1-(5-(4-amino-7-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyr-imidin-5-yl)imidazo[1,2-a]-pyridin-8-yl)-3-(4-((4-methyl-piperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CID 171090761
1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridin-8-yl)-3-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluorometh-yl)phenyl)urea
CID 171090778
1-(5-(4-amino-7-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridin-8-yl)-3-(4-((4-(2-fluoroethyl)-piperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CID 171090839
1-(5-(4-amino-7-(1-methyl-piperidin-4-yl)-7H-pyrrolo-[2,3-d]pyrimidin-5-yl)imidazo-[1,2-a]pyridin-8-yl)-3-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CID 171090907
1-(5-(4-amino-7-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-(trifluoromethyl)-imidazo[1,2-a]pyridin-8-yl)-3-(4-((4-methylpiperazin-1-yl)-methyl)-3-(trifluoromethyl)-phenyl)urea
CID 171090914

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane?
The IUPAC name of N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane (CID 157460920) is N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane.
What is the SMILES notation for N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane?
The canonical SMILES for N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane is C.CC(=O)Nc1ccc(-c2c(NC(C)=O)nc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cn23)cc1.CC(=O)Nc1ccc(B(O)O)cc1.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1Br.
What is the InChIKey of N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane?
The InChIKey is BTXJQOBTNDJIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2.C15H11BrF3N5O.C8H10BNO3.CH4/c1-12(33)29-17-6-3-14(4-7-17)20-22(30-13(2)34)31-19-8-5-15(11-32(19)20)16-9-18(23(24,25)26)21(27)28-10-16;1-7(25)22-14-12(16)24-6-8(2-3-11(24)23-14)9-4-10(15(17,18)19)13(20)21-5-9;1-6(11)10-8-4-2-7(3-5-8)9(12)13;/h3-11H,1-2H3,(H2,27,28)(H,29,33)(H,30,34);2-6H,1H3,(H2,20,21)(H,22,25);2-5,12-13H,1H3,(H,10,11);1H4.
What are the key properties of N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane?
N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane has a molecular weight of 1077.65 g/mol, XLogP of 8.26, 8 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane is sourced from PubChem (CID 157460920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).