4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one

C134H147Cl10N21O16 — CID 158238303

IUPAC4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one
SMILESCC(C)Nc1cc(-c2c[nH]c(C(=O)C[C@@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)CC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)c(Cl)cn1.CC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.Cc1cccc([C@@H](CO)CC(=O)c2cc(-c3cc(N[C@H](C)CO)ncc3Cl)c[nH]2)c1
InChIInChI=1S/C23H25Cl2N3O3.C23H26ClN3O3.C22H24Cl2N4O3.C22H24Cl2N4O2.C22H23Cl2N3O2.C22H25ClN4O3/c1-2-18(13-30)28-23-9-19(20(25)11-27-23)15-7-21(26-10-15)22(31)8-16(12-29)14-4-3-5-17(24)6-14;1-14-4-3-5-16(6-14)18(13-29)8-22(30)21-7-17(10-25-21)19-9-23(26-11-20(19)24)27-15(2)12-28;1-2-16(11-29)27-21-8-17(18(24)10-26-21)14-7-19(25-9-14)22(31)28-20(12-30)13-4-3-5-15(23)6-13;1-3-13(2)27-21-9-17(18(24)11-26-21)15-8-19(25-10-15)22(30)28-20(12-29)14-5-4-6-16(23)7-14;1-13(2)27-22-9-18(19(24)11-26-22)15-7-20(25-10-15)21(29)8-16(12-28)14-4-3-5-17(23)6-14;1-2-16(12-28)26-21-9-17(18(23)11-25-21)15-8-19(24-10-15)22(30)27-20(13-29)14-6-4-3-5-7-14/h3-7,9-11,16,18,26,29-30H,2,8,12-13H2,1H3,(H,27,28);3-7,9-11,15,18,25,28-29H,8,12-13H2,1-2H3,(H,26,27);3-10,16,20,25,29-30H,2,11-12H2,1H3,(H,26,27)(H,28,31);4-11,13,20,25,29H,3,12H2,1-2H3,(H,26,27)(H,28,30);3-7,9-11,13,16,25,28H,8,12H2,1-2H3,(H,26,27);3-11,16,20,24,28-29H,2,12-13H2,1H3,(H,25,26)(H,27,30)/t16?,18-;15-,18-;16-,20+;13-,20+;16-;16-,20+/m010000/s1
InChIKeyGFFWGVPIJGIAJK-RLCBXCPZSA-N
MW2662.31 g/mol
LogP27.11
Rot. Bonds53

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

4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one (PubChem CID 158238303) has the molecular formula C134H147Cl10N21O16 and a molecular weight of 2662.31 g/mol. Its IUPAC name is 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one.

Molecular Properties

Compound Name4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one
PubChem CID158238303
Molecular FormulaC134H147Cl10N21O16
Molecular Weight2662.31 g/mol
Exact Mass2655.82
IUPAC Name4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one
SMILESCC(C)Nc1cc(-c2c[nH]c(C(=O)C[C@@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)CC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)c(Cl)cn1.CC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.Cc1cccc([C@@H](CO)CC(=O)c2cc(-c3cc(N[C@H](C)CO)ncc3Cl)c[nH]2)c1
InChIInChI=1S/C23H25Cl2N3O3.C23H26ClN3O3.C22H24Cl2N4O3.C22H24Cl2N4O2.C22H23Cl2N3O2.C22H25ClN4O3/c1-2-18(13-30)28-23-9-19(20(25)11-27-23)15-7-21(26-10-15)22(31)8-16(12-29)14-4-3-5-17(24)6-14;1-14-4-3-5-16(6-14)18(13-29)8-22(30)21-7-17(10-25-21)19-9-23(26-11-20(19)24)27-15(2)12-28;1-2-16(11-29)27-21-8-17(18(24)10-26-21)14-7-19(25-9-14)22(31)28-20(12-30)13-4-3-5-15(23)6-13;1-3-13(2)27-21-9-17(18(24)11-26-21)15-8-19(25-10-15)22(30)28-20(12-29)14-5-4-6-16(23)7-14;1-13(2)27-22-9-18(19(24)11-26-22)15-7-20(25-10-15)21(29)8-16(12-28)14-4-3-5-17(23)6-14;1-2-16(12-28)26-21-9-17(18(23)11-25-21)15-8-19(24-10-15)22(30)27-20(13-29)14-6-4-3-5-7-14/h3-7,9-11,16,18,26,29-30H,2,8,12-13H2,1H3,(H,27,28);3-7,9-11,15,18,25,28-29H,8,12-13H2,1-2H3,(H,26,27);3-10,16,20,25,29-30H,2,11-12H2,1H3,(H,26,27)(H,28,31);4-11,13,20,25,29H,3,12H2,1-2H3,(H,26,27)(H,28,30);3-7,9-11,13,16,25,28H,8,12H2,1-2H3,(H,26,27);3-11,16,20,24,28-29H,2,12-13H2,1H3,(H,25,26)(H,27,30)/t16?,18-;15-,18-;16-,20+;13-,20+;16-;16-,20+/m010000/s1
InChIKeyGFFWGVPIJGIAJK-RLCBXCPZSA-N
XLogP27.11
TPSA585.07 Ų
H-Bond Donors25
H-Bond Acceptors28
Rotatable Bonds53
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002662.31
LogP ≤ 527.11
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1028

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

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Launch Full Analysis

Related Compounds

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
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
[(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
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
CID 157830477
tris([(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] acetate);[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-ethoxycarbonyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] ethyl carbonate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] acetate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] ethyl carbonate
CID 157852629
CID 157875709
CID 157875709
6-(4-chlorophenyl)-1-methyl-3-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyridin-4-ylpyridin-2-one;6-(4-chlorophenyl)-1-methyl-3-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyridin-4-ylpyridin-2-one;3-(3-cyclopropylphenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(3-ethenylphenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)-4-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]pyridin-2-one;1-methyl-3-(3-methylphenyl)-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one
CID 158170278
4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
CID 158506968

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one?
The IUPAC name of 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one (CID 158238303) is 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one.
What is the SMILES notation for 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one?
The canonical SMILES for 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one is CC(C)Nc1cc(-c2c[nH]c(C(=O)C[C@@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)CC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)c(Cl)cn1.CC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.Cc1cccc([C@@H](CO)CC(=O)c2cc(-c3cc(N[C@H](C)CO)ncc3Cl)c[nH]2)c1.
What is the InChIKey of 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one?
The InChIKey is GFFWGVPIJGIAJK-RLCBXCPZSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3.C23H26ClN3O3.C22H24Cl2N4O3.C22H24Cl2N4O2.C22H23Cl2N3O2.C22H25ClN4O3/c1-2-18(13-30)28-23-9-19(20(25)11-27-23)15-7-21(26-10-15)22(31)8-16(12-29)14-4-3-5-17(24)6-14;1-14-4-3-5-16(6-14)18(13-29)8-22(30)21-7-17(10-25-21)19-9-23(26-11-20(19)24)27-15(2)12-28;1-2-16(11-29)27-21-8-17(18(24)10-26-21)14-7-19(25-9-14)22(31)28-20(12-30)13-4-3-5-15(23)6-13;1-3-13(2)27-21-9-17(18(24)11-26-21)15-8-19(25-10-15)22(30)28-20(12-29)14-5-4-6-16(23)7-14;1-13(2)27-22-9-18(19(24)11-26-22)15-7-20(25-10-15)21(29)8-16(12-28)14-4-3-5-17(23)6-14;1-2-16(12-28)26-21-9-17(18(23)11-25-21)15-8-19(24-10-15)22(30)27-20(13-29)14-6-4-3-5-7-14/h3-7,9-11,16,18,26,29-30H,2,8,12-13H2,1H3,(H,27,28);3-7,9-11,15,18,25,28-29H,8,12-13H2,1-2H3,(H,26,27);3-10,16,20,25,29-30H,2,11-12H2,1H3,(H,26,27)(H,28,31);4-11,13,20,25,29H,3,12H2,1-2H3,(H,26,27)(H,28,30);3-7,9-11,13,16,25,28H,8,12H2,1-2H3,(H,26,27);3-11,16,20,24,28-29H,2,12-13H2,1H3,(H,25,26)(H,27,30)/t16?,18-;15-,18-;16-,20+;13-,20+;16-;16-,20+/m010000/s1.
What are the key properties of 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one?
4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one has a molecular weight of 2662.31 g/mol, XLogP of 27.11, 53 rotatable bonds, 25 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;1-[4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-3-(3-chlorophenyl)-4-hydroxybutan-1-one;(3S)-1-[4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxy-3-(3-methylphenyl)butan-1-one;(3R)-3-(3-chlorophenyl)-1-[4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrol-2-yl]-4-hydroxybutan-1-one is sourced from PubChem (CID 158238303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).