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

C110H122Cl6N20O10 — CID 159473744

IUPAC4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC(C)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(C)cn1.Cc1cnc(NC2CC2)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1.Cc1cnc(NCC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
InChIInChI=1S/2C23H27ClN4O2.C22H23ClN4O2.C21H22Cl2N4O2.C21H23ClN4O2/c1-14(2)10-26-22-9-19(15(3)11-27-22)17-8-20(25-12-17)23(30)28-21(13-29)16-5-4-6-18(24)7-16;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;1-13-10-25-21(26-17-5-6-17)9-18(13)15-8-19(24-11-15)22(29)27-20(12-28)14-3-2-4-16(23)7-14;1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13;1-13(2)25-20-9-16(17(22)11-24-20)15-8-18(23-10-15)21(28)26-19(12-27)14-6-4-3-5-7-14/h4-9,11-12,14,21,25,29H,10,13H2,1-3H3,(H,26,27)(H,28,30);5-12,15,21,25,29H,4,13H2,1-3H3,(H,26,27)(H,28,30);2-4,7-11,17,20,24,28H,5-6,12H2,1H3,(H,25,26)(H,27,29);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29);3-11,13,19,23,27H,12H2,1-2H3,(H,24,25)(H,26,28)/t21-;15-,21+;20-;2*19-/m10111/s1
InChIKeyLWCRCFSCVBFMMG-UQQPPMTOSA-N
MW2097.03 g/mol
LogP22.04
Rot. Bonds37

About 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 159473744) has the molecular formula C110H122Cl6N20O10 and a molecular weight of 2097.03 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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
PubChem CID159473744
Molecular FormulaC110H122Cl6N20O10
Molecular Weight2097.03 g/mol
Exact Mass2092.78
IUPAC Name4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC(C)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(C)cn1.Cc1cnc(NC2CC2)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1.Cc1cnc(NCC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
InChIInChI=1S/2C23H27ClN4O2.C22H23ClN4O2.C21H22Cl2N4O2.C21H23ClN4O2/c1-14(2)10-26-22-9-19(15(3)11-27-22)17-8-20(25-12-17)23(30)28-21(13-29)16-5-4-6-18(24)7-16;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;1-13-10-25-21(26-17-5-6-17)9-18(13)15-8-19(24-11-15)22(29)27-20(12-28)14-3-2-4-16(23)7-14;1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13;1-13(2)25-20-9-16(17(22)11-24-20)15-8-18(23-10-15)21(28)26-19(12-27)14-6-4-3-5-7-14/h4-9,11-12,14,21,25,29H,10,13H2,1-3H3,(H,26,27)(H,28,30);5-12,15,21,25,29H,4,13H2,1-3H3,(H,26,27)(H,28,30);2-4,7-11,17,20,24,28H,5-6,12H2,1H3,(H,25,26)(H,27,29);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29);3-11,13,19,23,27H,12H2,1-2H3,(H,24,25)(H,26,28)/t21-;15-,21+;20-;2*19-/m10111/s1
InChIKeyLWCRCFSCVBFMMG-UQQPPMTOSA-N
XLogP22.04
TPSA450.20 Ų
H-Bond Donors20
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002097.03
LogP ≤ 522.04
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1020

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

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Related Compounds

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
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
[(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

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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide (CID 159473744) is 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide is CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC(C)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(C)cn1.Cc1cnc(NC2CC2)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1.Cc1cnc(NCC(C)C)cc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LWCRCFSCVBFMMG-UQQPPMTOSA-N. The full InChI is InChI=1S/2C23H27ClN4O2.C22H23ClN4O2.C21H22Cl2N4O2.C21H23ClN4O2/c1-14(2)10-26-22-9-19(15(3)11-27-22)17-8-20(25-12-17)23(30)28-21(13-29)16-5-4-6-18(24)7-16;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;1-13-10-25-21(26-17-5-6-17)9-18(13)15-8-19(24-11-15)22(29)27-20(12-28)14-3-2-4-16(23)7-14;1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13;1-13(2)25-20-9-16(17(22)11-24-20)15-8-18(23-10-15)21(28)26-19(12-27)14-6-4-3-5-7-14/h4-9,11-12,14,21,25,29H,10,13H2,1-3H3,(H,26,27)(H,28,30);5-12,15,21,25,29H,4,13H2,1-3H3,(H,26,27)(H,28,30);2-4,7-11,17,20,24,28H,5-6,12H2,1H3,(H,25,26)(H,27,29);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29);3-11,13,19,23,27H,12H2,1-2H3,(H,24,25)(H,26,28)/t21-;15-,21+;20-;2*19-/m10111/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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 2097.03 g/mol, XLogP of 22.04, 37 rotatable bonds, 20 hydrogen bond donors, and 20 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;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 159473744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).