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

C106H107ClN28O10 — CID 158777139

IUPAC5-(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
SMILESCCn1c(-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.Cl.Cn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCOC2CCCCO2)c1-c1ccccc1
InChIInChI=1S/C22H25N5O3.C17H17N5O2.C17H17N5O.C17H16N4O2.C17H16N4O.C16H15N5O.ClH/c23-21(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;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;1-2-22-14(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;1-21-13(12-7-8-19-16(18)20-12)9-11(15(17)22)14(21)10-5-3-2-4-6-10;/h1-3,6-7,9-10,14,19H,4-5,8,11-13H2,(H2,23,28)(H2,24,25,26);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);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);2-9H,1H3,(H2,17,22)(H2,18,19,20);1H
InChIKeyKRJOEXRQDHCPJK-UHFFFAOYSA-N
MW1968.66 g/mol
LogP13.65
Rot. Bonds26

About 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

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 (PubChem CID 158777139) has the molecular formula C106H107ClN28O10 and a molecular weight of 1968.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID158777139
Molecular FormulaC106H107ClN28O10
Molecular Weight1968.66 g/mol
Exact Mass1966.84
IUPAC Name5-(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
SMILESCCn1c(-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.Cl.Cn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCOC2CCCCO2)c1-c1ccccc1
InChIInChI=1S/C22H25N5O3.C17H17N5O2.C17H17N5O.C17H16N4O2.C17H16N4O.C16H15N5O.ClH/c23-21(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;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;1-2-22-14(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;1-21-13(12-7-8-19-16(18)20-12)9-11(15(17)22)14(21)10-5-3-2-4-6-10;/h1-3,6-7,9-10,14,19H,4-5,8,11-13H2,(H2,23,28)(H2,24,25,26);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);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);2-9H,1H3,(H2,17,22)(H2,18,19,20);1H
InChIKeyKRJOEXRQDHCPJK-UHFFFAOYSA-N
XLogP13.65
TPSA612.90 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001968.66
LogP ≤ 513.65
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

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CID 157227516
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-(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
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-5-phenyl-3-pyrimidin-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 158681588
N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine
CID 159031154
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
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6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-5-phenyl-3-pyrimidin-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 160672138
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
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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
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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
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3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
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1-(2-acetamidoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylic acid;4-(2-aminopyrimidin-4-yl)-N-benzyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide;ethyl 1-(2-acetamidoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylate
CID 161921572

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.Cl.Cn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCOC2CCCCO2)c1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is KRJOEXRQDHCPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3.C17H17N5O2.C17H17N5O.C17H16N4O2.C17H16N4O.C16H15N5O.ClH/c23-21(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;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;1-2-22-14(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;1-21-13(12-7-8-19-16(18)20-12)9-11(15(17)22)14(21)10-5-3-2-4-6-10;/h1-3,6-7,9-10,14,19H,4-5,8,11-13H2,(H2,23,28)(H2,24,25,26);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);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);2-9H,1H3,(H2,17,22)(H2,18,19,20);1H.
What are the key properties of 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?
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 has a molecular weight of 1968.66 g/mol, XLogP of 13.65, 26 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158777139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).