4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide

C136H160Cl4N24O13 — CID 158526768

IUPAC4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
SMILESCCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.CCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)c(C)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.CC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.Cc1cnc(NC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1.Cc1cnc(NC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C23H27ClN4O3.2C23H27ClN4O2.C23H28N4O2.C22H25ClN4O2.C22H26N4O2/c1-3-18(12-29)27-22-9-19(14(2)10-26-22)16-8-20(25-11-16)23(31)28-21(13-30)15-5-4-6-17(24)7-15;2*1-4-15(3)27-22-10-19(14(2)11-26-22)17-9-20(25-12-17)23(30)28-21(13-29)16-6-5-7-18(24)8-16;1-4-16(3)26-22-11-19(15(2)12-25-22)18-10-20(24-13-18)23(29)27-21(14-28)17-8-6-5-7-9-17;1-13(2)26-21-9-18(14(3)10-25-21)16-8-19(24-11-16)22(29)27-20(12-28)15-5-4-6-17(23)7-15;1-14(2)25-21-10-18(15(3)11-24-21)17-9-19(23-12-17)22(28)26-20(13-27)16-7-5-4-6-8-16/h4-11,18,21,25,29-30H,3,12-13H2,1-2H3,(H,26,27)(H,28,31);2*5-12,15,21,25,29H,4,13H2,1-3H3,(H,26,27)(H,28,30);5-13,16,21,24,28H,4,14H2,1-3H3,(H,25,26)(H,27,29);4-11,13,20,24,28H,12H2,1-3H3,(H,25,26)(H,27,29);4-12,14,20,23,27H,13H2,1-3H3,(H,24,25)(H,26,28)/t18-,21+;15?,21-;15-,21+;16?,21-;2*20-/m010111/s1
InChIKeyHMWLPUTUQRLWBM-FFNBKAMVSA-N
MW2480.74 g/mol
LogP25.16
Rot. Bonds47

About 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide

4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide (PubChem CID 158526768) has the molecular formula C136H160Cl4N24O13 and a molecular weight of 2480.74 g/mol. Its IUPAC name is 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
PubChem CID158526768
Molecular FormulaC136H160Cl4N24O13
Molecular Weight2480.74 g/mol
Exact Mass2477.14
IUPAC Name4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
SMILESCCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.CCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)c(C)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.CC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.Cc1cnc(NC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1.Cc1cnc(NC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C23H27ClN4O3.2C23H27ClN4O2.C23H28N4O2.C22H25ClN4O2.C22H26N4O2/c1-3-18(12-29)27-22-9-19(14(2)10-26-22)16-8-20(25-11-16)23(31)28-21(13-30)15-5-4-6-17(24)7-15;2*1-4-15(3)27-22-10-19(14(2)11-26-22)17-9-20(25-12-17)23(30)28-21(13-29)16-6-5-7-18(24)8-16;1-4-16(3)26-22-11-19(15(2)12-25-22)18-10-20(24-13-18)23(29)27-21(14-28)17-8-6-5-7-9-17;1-13(2)26-21-9-18(14(3)10-25-21)16-8-19(24-11-16)22(29)27-20(12-28)15-5-4-6-17(23)7-15;1-14(2)25-21-10-18(15(3)11-24-21)17-9-19(23-12-17)22(28)26-20(13-27)16-7-5-4-6-8-16/h4-11,18,21,25,29-30H,3,12-13H2,1-2H3,(H,26,27)(H,28,31);2*5-12,15,21,25,29H,4,13H2,1-3H3,(H,26,27)(H,28,30);5-13,16,21,24,28H,4,14H2,1-3H3,(H,25,26)(H,27,29);4-11,13,20,24,28H,12H2,1-3H3,(H,25,26)(H,27,29);4-12,14,20,23,27H,13H2,1-3H3,(H,24,25)(H,26,28)/t18-,21+;15?,21-;15-,21+;16?,21-;2*20-/m010111/s1
InChIKeyHMWLPUTUQRLWBM-FFNBKAMVSA-N
XLogP25.16
TPSA560.47 Ų
H-Bond Donors25
H-Bond Acceptors25
Rotatable Bonds47
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002480.74
LogP ≤ 525.16
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1025

Analyze 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate
CID 159723838
4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 161391041
4-(4-anilino-1,3,5-triazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[4-[(4,4,4-trifluoro-1-hydroxybutan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[4-(3,3,3-trifluoropropylamino)-1,3,5-triazin-2-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 161523635
bis(N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide);methane;dihydrochloride
CID 157086139
(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;5-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid
CID 157174487
N-[(2S)-1-(4-acetylpiperazin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 157187507
4-chloro-12-[4-(4-methylpiperazin-1-yl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;N,N-dimethyl-12-[4-(4-methylpiperazin-1-yl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide;N-(2-hydroxyethyl)-12-[4-(4-methylpiperazin-1-yl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide;12-[4-(4-methylpiperazin-1-yl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide;[12-[4-(4-methylpiperazin-1-yl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-pyrrolidin-1-ylmethanone
CID 157233135
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[3-(propan-2-ylamino)-1,2,4-triazin-5-yl]-1H-pyrrole-2-carboxamide
CID 157301319
[(2S)-2-(3-chlorophenyl)-2-[[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carbonyl]amino]ethoxy]methyl dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carbonyl]amino]ethyl] acetate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carbonyl]amino]ethyl] (2S)-2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carbonyl]amino]ethyl] propanoate
CID 157359658
N-benzyl-4-(6-chloropyrimidin-4-yl)-3-phenyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-methyl-4-pyridinyl)-N-(1,2-dihydroxy-2-phenylethyl)-1H-pyrrole-2-carboxamide;N-[2-(3-chlorophenyl)-1,2-dihydroxyethyl]-4-(2-chloro-4-pyridinyl)-1H-pyrrole-2-carboxamide;4-(6-chloropyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-2-carboxamide;4-(6-chloropyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 157524341
4-[2-(2-chloro-4-fluoroanilino)pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-(2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-(hydroxymethyl)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 157563520
3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;1-[5-(2-aminopyrimidin-4-yl)-1H-pyrazol-3-yl]-3-[(3-ethylphenyl)methyl]urea;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 157681277

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide (CID 158526768) is 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide is CCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.CCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)c(C)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.CC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(C)cn1.Cc1cnc(NC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1.Cc1cnc(NC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1.
What is the InChIKey of 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HMWLPUTUQRLWBM-FFNBKAMVSA-N. The full InChI is InChI=1S/C23H27ClN4O3.2C23H27ClN4O2.C23H28N4O2.C22H25ClN4O2.C22H26N4O2/c1-3-18(12-29)27-22-9-19(14(2)10-26-22)16-8-20(25-11-16)23(31)28-21(13-30)15-5-4-6-17(24)7-15;2*1-4-15(3)27-22-10-19(14(2)11-26-22)17-9-20(25-12-17)23(30)28-21(13-29)16-6-5-7-18(24)8-16;1-4-16(3)26-22-11-19(15(2)12-25-22)18-10-20(24-13-18)23(29)27-21(14-28)17-8-6-5-7-9-17;1-13(2)26-21-9-18(14(3)10-25-21)16-8-19(24-11-16)22(29)27-20(12-28)15-5-4-6-17(23)7-15;1-14(2)25-21-10-18(15(3)11-24-21)17-9-19(23-12-17)22(28)26-20(13-27)16-7-5-4-6-8-16/h4-11,18,21,25,29-30H,3,12-13H2,1-2H3,(H,26,27)(H,28,31);2*5-12,15,21,25,29H,4,13H2,1-3H3,(H,26,27)(H,28,30);5-13,16,21,24,28H,4,14H2,1-3H3,(H,25,26)(H,27,29);4-11,13,20,24,28H,12H2,1-3H3,(H,25,26)(H,27,29);4-12,14,20,23,27H,13H2,1-3H3,(H,24,25)(H,26,28)/t18-,21+;15?,21-;15-,21+;16?,21-;2*20-/m010111/s1.
What are the key properties of 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide?
4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide has a molecular weight of 2480.74 g/mol, XLogP of 25.16, 47 rotatable bonds, 25 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 158526768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).