4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;bis(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;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

C131H144Cl10N24O16 — CID 159423648

IUPAC4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;bis(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;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
SMILESCC(C)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)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)NC(=O)c2cc(-c3cc(N[C@H](C)CO)ncc3Cl)c[nH]2)c1
InChIInChI=1S/2C22H24Cl2N4O3.C22H24Cl2N4O2.2C22H25ClN4O3.C21H22Cl2N4O2/c2*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;1-13-4-3-5-15(6-13)20(12-29)27-22(30)19-7-16(9-24-19)17-8-21(25-10-18(17)23)26-14(2)11-28;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;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/h2*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);3-10,14,20,24,28-29H,11-12H2,1-2H3,(H,25,26)(H,27,30);3-11,16,20,24,28-29H,2,12-13H2,1H3,(H,25,26)(H,27,30);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t2*16-,20+;13-,20+;14-,20-;16-,20+;19-/m000100/s1
InChIKeyLQBLUAGAZYNJQN-AVYOTFTLSA-N
MW2665.27 g/mol
LogP24.45
Rot. Bonds50

About 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;bis(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;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

4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;bis(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;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 (PubChem CID 159423648) has the molecular formula C131H144Cl10N24O16 and a molecular weight of 2665.27 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;bis(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;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.

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;bis(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;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
PubChem CID159423648
Molecular FormulaC131H144Cl10N24O16
Molecular Weight2665.27 g/mol
Exact Mass2658.81
IUPAC Name4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;bis(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;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
SMILESCC(C)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)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)NC(=O)c2cc(-c3cc(N[C@H](C)CO)ncc3Cl)c[nH]2)c1
InChIInChI=1S/2C22H24Cl2N4O3.C22H24Cl2N4O2.2C22H25ClN4O3.C21H22Cl2N4O2/c2*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;1-13-4-3-5-15(6-13)20(12-29)27-22(30)19-7-16(9-24-19)17-8-21(25-10-18(17)23)26-14(2)11-28;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;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/h2*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);3-10,14,20,24,28-29H,11-12H2,1-2H3,(H,25,26)(H,27,30);3-11,16,20,24,28-29H,2,12-13H2,1H3,(H,25,26)(H,27,30);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t2*16-,20+;13-,20+;14-,20-;16-,20+;19-/m000100/s1
InChIKeyLQBLUAGAZYNJQN-AVYOTFTLSA-N
XLogP24.45
TPSA621.16 Ų
H-Bond Donors28
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002665.27
LogP ≤ 524.45
H-Bond Donors ≤ 528
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;bis(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;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 with MolForge

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethanamine;2-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-7-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;7-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-2-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxylic acid;deuterium monohydride;1,2-dibromoethane;methane
CID 161170261
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
8-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepin-1-one;bis(7-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one);bis(7-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one);7-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 157841347

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;bis(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;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?
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;bis(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;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 159423648) is 4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;bis(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;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.
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;bis(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;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?
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;bis(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;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 is CC(C)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)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)NC(=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;bis(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;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?
The InChIKey is LQBLUAGAZYNJQN-AVYOTFTLSA-N. The full InChI is InChI=1S/2C22H24Cl2N4O3.C22H24Cl2N4O2.2C22H25ClN4O3.C21H22Cl2N4O2/c2*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;1-13-4-3-5-15(6-13)20(12-29)27-22(30)19-7-16(9-24-19)17-8-21(25-10-18(17)23)26-14(2)11-28;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;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/h2*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);3-10,14,20,24,28-29H,11-12H2,1-2H3,(H,25,26)(H,27,30);3-11,16,20,24,28-29H,2,12-13H2,1H3,(H,25,26)(H,27,30);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t2*16-,20+;13-,20+;14-,20-;16-,20+;19-/m000100/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;bis(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;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?
4-[2-[[(2S)-butan-2-yl]amino]-5-chloro-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;bis(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;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 has a molecular weight of 2665.27 g/mol, XLogP of 24.45, 50 rotatable bonds, 28 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;bis(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;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 is sourced from PubChem (CID 159423648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).