3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole

C81H84Br3N25O4 — CID 162146634

IUPAC3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole
SMILESC=C(C)c1cnc2c(Br)nc(Br)cn12.C=C(C)c1cnc2c(NCc3cccc(C(N)=O)c3)nc(-n3ccnc3C)cn12.C=C(C)c1cnc2c(NCc3cccc(C(N)=O)c3)nc(Br)cn12.CC1=NC=CC1.Cc1nccn1-c1cn2c(C(C)C)cnc2c(NCc2cccc(C(N)=O)c2)n1.NCc1cccc(C(N)=O)c1
InChIInChI=1S/C21H23N7O.C21H21N7O.C17H16BrN5O.C9H7Br2N3.C8H10N2O.C5H7N/c2*1-13(2)17-11-25-21-20(24-10-15-5-4-6-16(9-15)19(22)29)26-18(12-28(17)21)27-8-7-23-14(27)3;1-10(2)13-8-21-17-16(22-14(18)9-23(13)17)20-7-11-4-3-5-12(6-11)15(19)24;1-5(2)6-3-12-9-8(11)13-7(10)4-14(6)9;9-5-6-2-1-3-7(4-6)8(10)11;1-5-3-2-4-6-5/h4-9,11-13H,10H2,1-3H3,(H2,22,29)(H,24,26);4-9,11-12H,1,10H2,2-3H3,(H2,22,29)(H,24,26);3-6,8-9H,1,7H2,2H3,(H2,19,24)(H,20,22);3-4H,1H2,2H3;1-4H,5,9H2,(H2,10,11);2,4H,3H2,1H3
InChIKeyZKQJHSWMMSOKRM-UHFFFAOYSA-N
MW1711.45 g/mol
LogP14.16
Rot. Bonds20

About 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole

3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole (PubChem CID 162146634) has the molecular formula C81H84Br3N25O4 and a molecular weight of 1711.45 g/mol. Its IUPAC name is 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole.

Molecular Properties

Compound Name3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole
PubChem CID162146634
Molecular FormulaC81H84Br3N25O4
Molecular Weight1711.45 g/mol
Exact Mass1707.47
IUPAC Name3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole
SMILESC=C(C)c1cnc2c(Br)nc(Br)cn12.C=C(C)c1cnc2c(NCc3cccc(C(N)=O)c3)nc(-n3ccnc3C)cn12.C=C(C)c1cnc2c(NCc3cccc(C(N)=O)c3)nc(Br)cn12.CC1=NC=CC1.Cc1nccn1-c1cn2c(C(C)C)cnc2c(NCc2cccc(C(N)=O)c2)n1.NCc1cccc(C(N)=O)c1
InChIInChI=1S/C21H23N7O.C21H21N7O.C17H16BrN5O.C9H7Br2N3.C8H10N2O.C5H7N/c2*1-13(2)17-11-25-21-20(24-10-15-5-4-6-16(9-15)19(22)29)26-18(12-28(17)21)27-8-7-23-14(27)3;1-10(2)13-8-21-17-16(22-14(18)9-23(13)17)20-7-11-4-3-5-12(6-11)15(19)24;1-5(2)6-3-12-9-8(11)13-7(10)4-14(6)9;9-5-6-2-1-3-7(4-6)8(10)11;1-5-3-2-4-6-5/h4-9,11-13H,10H2,1-3H3,(H2,22,29)(H,24,26);4-9,11-12H,1,10H2,2-3H3,(H2,22,29)(H,24,26);3-6,8-9H,1,7H2,2H3,(H2,19,24)(H,20,22);3-4H,1H2,2H3;1-4H,5,9H2,(H2,10,11);2,4H,3H2,1H3
InChIKeyZKQJHSWMMSOKRM-UHFFFAOYSA-N
XLogP14.16
TPSA403.23 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001711.45
LogP ≤ 514.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole with MolForge

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Related Compounds

[4-[[2,6-Difluoro-3-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 123381278
[(3R,4R)-4-[[2,6-difluoro-3-[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 129131028
[(3R,4R)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 158186289
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 160534360
3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
CID 171398538
1-N,4-N-bis[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 44633273
1-N,4-N-bis[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 44633274
3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide
CID 68734339
1-N,4-N-bis[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 75060326
1-N,4-N-bis[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 75060327
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(pyridin-4-ylmethyl)benzamide
CID 123290029
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(pyridin-2-ylmethyl)benzamide
CID 123387373

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole?
The IUPAC name of 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole (CID 162146634) is 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole.
What is the SMILES notation for 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole?
The canonical SMILES for 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole is C=C(C)c1cnc2c(Br)nc(Br)cn12.C=C(C)c1cnc2c(NCc3cccc(C(N)=O)c3)nc(-n3ccnc3C)cn12.C=C(C)c1cnc2c(NCc3cccc(C(N)=O)c3)nc(Br)cn12.CC1=NC=CC1.Cc1nccn1-c1cn2c(C(C)C)cnc2c(NCc2cccc(C(N)=O)c2)n1.NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole?
The InChIKey is ZKQJHSWMMSOKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O.C21H21N7O.C17H16BrN5O.C9H7Br2N3.C8H10N2O.C5H7N/c2*1-13(2)17-11-25-21-20(24-10-15-5-4-6-16(9-15)19(22)29)26-18(12-28(17)21)27-8-7-23-14(27)3;1-10(2)13-8-21-17-16(22-14(18)9-23(13)17)20-7-11-4-3-5-12(6-11)15(19)24;1-5(2)6-3-12-9-8(11)13-7(10)4-14(6)9;9-5-6-2-1-3-7(4-6)8(10)11;1-5-3-2-4-6-5/h4-9,11-13H,10H2,1-3H3,(H2,22,29)(H,24,26);4-9,11-12H,1,10H2,2-3H3,(H2,22,29)(H,24,26);3-6,8-9H,1,7H2,2H3,(H2,19,24)(H,20,22);3-4H,1H2,2H3;1-4H,5,9H2,(H2,10,11);2,4H,3H2,1H3.
What are the key properties of 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole?
3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole has a molecular weight of 1711.45 g/mol, XLogP of 14.16, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole is sourced from PubChem (CID 162146634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).