9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride

C179H164ClN37O16 — CID 161364961

IUPAC9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cc(-c2ccnc(N)n2)n(C)c1-c1ccccc1.CCn1c(-c2ccnc(N)n2)cc(C(=O)O)c1-c1ccccc1.CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.CNC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CNC(=O)c1cc(-c2ccnc(N)n2)n(C)c1-c1ccccc1.Cl.Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCOC2CCCCO2)c1-c1ccccc1.O=C=O.c1ccc(-n2cc(-c3c4ccccc4nc4ccccc34)cc2-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C36H23N3.C22H25N5O3.C18H18N4O2.C17H17N5O2.2C17H17N5O.C17H16N4O2.C17H16N4O.C17H14N2O2.CO2.ClH/c1-2-12-25(13-3-1)39-23-24(35-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)35)22-34(39)36-28-16-6-10-20-32(28)38-33-21-11-7-17-29(33)36;23-21(28)16-14-18(17-9-10-25-22(24)26-17)27(20(16)15-6-2-1-3-7-15)11-13-30-19-8-4-5-12-29-19;1-3-24-17(23)13-11-15(14-9-10-20-18(19)21-14)22(2)16(13)12-7-5-4-6-8-12;18-16(24)12-10-14(13-6-7-20-17(19)21-13)22(8-9-23)15(12)11-4-2-1-3-5-11;1-19-16(23)12-10-14(13-8-9-20-17(18)21-13)22(2)15(12)11-6-4-3-5-7-11;1-2-22-14(13-8-9-20-17(19)21-13)10-12(16(18)23)15(22)11-6-4-3-5-7-11;1-2-21-14(13-8-9-19-17(18)20-13)10-12(16(22)23)15(21)11-6-4-3-5-7-11;1-19-16(22)14-10-12(15-7-8-20-17(18)21-15)9-13(14)11-5-3-2-4-6-11;1-19-15(13-8-5-9-18-11-13)10-14(17(20)21)16(19)12-6-3-2-4-7-12;2-1-3;/h1-23H;1-3,6-7,9-10,14,19H,4-5,8,11-13H2,(H2,23,28)(H2,24,25,26);4-11H,3H2,1-2H3,(H2,19,20,21);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);3-10H,1-2H3,(H,19,23)(H2,18,20,21);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);3-10H,2H2,1H3,(H,22,23)(H2,18,19,20);2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21);2-11H,1H3,(H,20,21);;1H
InChIKeyYAOALLSYFVLLIN-UHFFFAOYSA-N
MW3124.98 g/mol
LogP28.90
Rot. Bonds36

About 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride

9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride (PubChem CID 161364961) has the molecular formula C179H164ClN37O16 and a molecular weight of 3124.98 g/mol. Its IUPAC name is 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride
PubChem CID161364961
Molecular FormulaC179H164ClN37O16
Molecular Weight3124.98 g/mol
Exact Mass3122.28
IUPAC Name9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cc(-c2ccnc(N)n2)n(C)c1-c1ccccc1.CCn1c(-c2ccnc(N)n2)cc(C(=O)O)c1-c1ccccc1.CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.CNC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CNC(=O)c1cc(-c2ccnc(N)n2)n(C)c1-c1ccccc1.Cl.Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCOC2CCCCO2)c1-c1ccccc1.O=C=O.c1ccc(-n2cc(-c3c4ccccc4nc4ccccc34)cc2-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C36H23N3.C22H25N5O3.C18H18N4O2.C17H17N5O2.2C17H17N5O.C17H16N4O2.C17H16N4O.C17H14N2O2.CO2.ClH/c1-2-12-25(13-3-1)39-23-24(35-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)35)22-34(39)36-28-16-6-10-20-32(28)38-33-21-11-7-17-29(33)36;23-21(28)16-14-18(17-9-10-25-22(24)26-17)27(20(16)15-6-2-1-3-7-15)11-13-30-19-8-4-5-12-29-19;1-3-24-17(23)13-11-15(14-9-10-20-18(19)21-14)22(2)16(13)12-7-5-4-6-8-12;18-16(24)12-10-14(13-6-7-20-17(19)21-13)22(8-9-23)15(12)11-4-2-1-3-5-11;1-19-16(23)12-10-14(13-8-9-20-17(18)21-13)22(2)15(12)11-6-4-3-5-7-11;1-2-22-14(13-8-9-20-17(19)21-13)10-12(16(18)23)15(22)11-6-4-3-5-7-11;1-2-21-14(13-8-9-19-17(18)20-13)10-12(16(22)23)15(21)11-6-4-3-5-7-11;1-19-16(22)14-10-12(15-7-8-20-17(18)21-15)9-13(14)11-5-3-2-4-6-11;1-19-15(13-8-5-9-18-11-13)10-14(17(20)21)16(19)12-6-3-2-4-7-12;2-1-3;/h1-23H;1-3,6-7,9-10,14,19H,4-5,8,11-13H2,(H2,23,28)(H2,24,25,26);4-11H,3H2,1-2H3,(H2,19,20,21);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);3-10H,1-2H3,(H,19,23)(H2,18,20,21);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);3-10H,2H2,1H3,(H,22,23)(H2,18,19,20);2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21);2-11H,1H3,(H,20,21);;1H
InChIKeyYAOALLSYFVLLIN-UHFFFAOYSA-N
XLogP28.90
TPSA801.91 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003124.98
LogP ≤ 528.90
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylic acid;2-(4-acetylpiperazin-1-yl)-4-[2-(2-phenylethyl)-4-pyridinyl]cyclopenta-1,4-diene-1-carboximidamide;ethyl 1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylate;2-imino-2-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-dien-1-yl]ethanol;4-[2-(2-phenylethyl)-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-diene-1-carboximidamide;3-phenyl-1-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperidin-4-ylcyclopenta-1,4-dien-1-yl]propan-1-one;2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboximidamide
CID 157550436
1-O-tert-butyl 2-O-ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 4-[(E)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethenyl]pyrrole-1,2-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethanol;ethyl (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoate;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;(2S)-2-(phenylmethoxycarbonylamino)-3-[[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-1H-pyrrole-2-carbonyl]amino]propanoic acid;4-[(E)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylic acid
CID 157591482
1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylic acid;ethyl 1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylate;2-imino-2-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-dien-1-yl]ethanol;4-[2-(2-phenylethyl)-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-diene-1-carboximidamide;3-phenyl-1-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperidin-4-ylcyclopenta-1,4-dien-1-yl]propan-1-one;2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboximidamide
CID 157592368
1-O-tert-butyl 2-O-ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 4-[(E)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethenyl]pyrrole-1,2-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;methyl (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoate;(2S)-2-(phenylmethoxycarbonylamino)-3-[[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-1H-pyrrole-2-carbonyl]amino]propanoic acid;4-[(E)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylic acid
CID 157982711
[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate
CID 158389857
9-(4-Acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
CID 158769882
5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;hydrochloride
CID 158777139
5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide
CID 159117305
Ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 159122927
N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl)methanone;ethyl 9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaene-16-carboxylate;(4-methyl-1,4-diazepan-1-yl)-(9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl)methanone;9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaene-16-carboxylic acid
CID 159213180
1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylic acid;2-imino-2-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-dien-1-yl]ethanol;5-[2-(2-phenylethyl)-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-diene-1-carboximidamide;2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide
CID 161073493
1-(2-acetamidoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylic acid;1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylic acid;4-(2-aminopyrimidin-4-yl)-N-benzyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;ethyl 1-(2-acetamidoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylate;ethyl 1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylate;2-imino-2-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-dien-1-yl]ethanol
CID 161468351

Frequently Asked Questions

What is the IUPAC name of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride?
The IUPAC name of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride (CID 161364961) is 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride is CCOC(=O)c1cc(-c2ccnc(N)n2)n(C)c1-c1ccccc1.CCn1c(-c2ccnc(N)n2)cc(C(=O)O)c1-c1ccccc1.CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.CNC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CNC(=O)c1cc(-c2ccnc(N)n2)n(C)c1-c1ccccc1.Cl.Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCOC2CCCCO2)c1-c1ccccc1.O=C=O.c1ccc(-n2cc(-c3c4ccccc4nc4ccccc34)cc2-c2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride?
The InChIKey is YAOALLSYFVLLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3.C22H25N5O3.C18H18N4O2.C17H17N5O2.2C17H17N5O.C17H16N4O2.C17H16N4O.C17H14N2O2.CO2.ClH/c1-2-12-25(13-3-1)39-23-24(35-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)35)22-34(39)36-28-16-6-10-20-32(28)38-33-21-11-7-17-29(33)36;23-21(28)16-14-18(17-9-10-25-22(24)26-17)27(20(16)15-6-2-1-3-7-15)11-13-30-19-8-4-5-12-29-19;1-3-24-17(23)13-11-15(14-9-10-20-18(19)21-14)22(2)16(13)12-7-5-4-6-8-12;18-16(24)12-10-14(13-6-7-20-17(19)21-13)22(8-9-23)15(12)11-4-2-1-3-5-11;1-19-16(23)12-10-14(13-8-9-20-17(18)21-13)22(2)15(12)11-6-4-3-5-7-11;1-2-22-14(13-8-9-20-17(19)21-13)10-12(16(18)23)15(22)11-6-4-3-5-7-11;1-2-21-14(13-8-9-19-17(18)20-13)10-12(16(22)23)15(21)11-6-4-3-5-7-11;1-19-16(22)14-10-12(15-7-8-20-17(18)21-15)9-13(14)11-5-3-2-4-6-11;1-19-15(13-8-5-9-18-11-13)10-14(17(20)21)16(19)12-6-3-2-4-7-12;2-1-3;/h1-23H;1-3,6-7,9-10,14,19H,4-5,8,11-13H2,(H2,23,28)(H2,24,25,26);4-11H,3H2,1-2H3,(H2,19,20,21);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);3-10H,1-2H3,(H,19,23)(H2,18,20,21);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);3-10H,2H2,1H3,(H,22,23)(H2,18,19,20);2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21);2-11H,1H3,(H,20,21);;1H.
What are the key properties of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride?
9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride has a molecular weight of 3124.98 g/mol, XLogP of 28.90, 36 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-N,1-dimethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 161364961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).