3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide

C81H76Cl8FN15O10 — CID 161190632

IUPAC3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide
SMILESCOCc1cnc(Cl)cc1-c1c(C)[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C.Cc1[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(C)c1-c1cc(Cl)ncc1C#N.Cc1[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(N)c1-c1cc(Cl)ncc1F.Cc1c(C(=O)N[C@H](CO)c2cccc(Cl)c2)[nH]c(CO)c1-c1cc(Cl)ncn1
InChIInChI=1S/C22H23Cl2N3O3.C21H18Cl2N4O2.C19H17Cl2FN4O2.C19H18Cl2N4O3/c1-12-20(17-8-19(24)25-9-15(17)11-30-3)13(2)26-21(12)22(29)27-18(10-28)14-5-4-6-16(23)7-14;1-11-19(16-7-18(23)25-9-14(16)8-24)12(2)26-20(11)21(29)27-17(10-28)13-4-3-5-15(22)6-13;1-9-16(12-6-15(21)24-7-13(12)22)17(23)18(25-9)19(28)26-14(8-27)10-3-2-4-11(20)5-10;1-10-17(13-6-16(21)23-9-22-13)15(8-27)24-18(10)19(28)25-14(7-26)11-3-2-4-12(20)5-11/h4-9,18,26,28H,10-11H2,1-3H3,(H,27,29);3-7,9,17,26,28H,10H2,1-2H3,(H,27,29);2-7,14,25,27H,8,23H2,1H3,(H,26,28);2-6,9,14,24,26-27H,7-8H2,1H3,(H,25,28)/t18-;17-;2*14-/m1111/s1
InChIKeyUTRDBYCYELICSJ-HTIXQUCWSA-N
MW1722.22 g/mol
LogP15.86
Rot. Bonds23

About 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide

3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide (PubChem CID 161190632) has the molecular formula C81H76Cl8FN15O10 and a molecular weight of 1722.22 g/mol. Its IUPAC name is 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide
PubChem CID161190632
Molecular FormulaC81H76Cl8FN15O10
Molecular Weight1722.22 g/mol
Exact Mass1717.34
IUPAC Name3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide
SMILESCOCc1cnc(Cl)cc1-c1c(C)[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C.Cc1[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(C)c1-c1cc(Cl)ncc1C#N.Cc1[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(N)c1-c1cc(Cl)ncc1F.Cc1c(C(=O)N[C@H](CO)c2cccc(Cl)c2)[nH]c(CO)c1-c1cc(Cl)ncn1
InChIInChI=1S/C22H23Cl2N3O3.C21H18Cl2N4O2.C19H17Cl2FN4O2.C19H18Cl2N4O3/c1-12-20(17-8-19(24)25-9-15(17)11-30-3)13(2)26-21(12)22(29)27-18(10-28)14-5-4-6-16(23)7-14;1-11-19(16-7-18(23)25-9-14(16)8-24)12(2)26-20(11)21(29)27-17(10-28)13-4-3-5-15(22)6-13;1-9-16(12-6-15(21)24-7-13(12)22)17(23)18(25-9)19(28)26-14(8-27)10-3-2-4-11(20)5-10;1-10-17(13-6-16(21)23-9-22-13)15(8-27)24-18(10)19(28)25-14(7-26)11-3-2-4-12(20)5-11/h4-9,18,26,28H,10-11H2,1-3H3,(H,27,29);3-7,9,17,26,28H,10H2,1-2H3,(H,27,29);2-7,14,25,27H,8,23H2,1H3,(H,26,28);2-6,9,14,24,26-27H,7-8H2,1H3,(H,25,28)/t18-;17-;2*14-/m1111/s1
InChIKeyUTRDBYCYELICSJ-HTIXQUCWSA-N
XLogP15.86
TPSA404.20 Ų
H-Bond Donors14
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001722.22
LogP ≤ 515.86
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-(2-amino-5-cyanopyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-sulfonamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-cyano-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;ethyl 4-(2-anilino-5-cyanopyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 157359837
4-(2-chloro-5-fluoro-4-pyridinyl)-3-[(dimethylamino)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-hydroxy-4-pyridinyl)-N-[(4-fluorophenyl)methyl]-5-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-chloro-4-pyridinyl)-3-(hydroxymethyl)-5-methyl-1H-pyrrole-2-carboxamide;4-(6-chloropyrimidin-4-yl)-N-(1,2-dihydroxy-2-phenylethyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 159904941
3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-fluoro-4-pyridinyl)-3-[(dimethylamino)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-hydroxy-4-pyridinyl)-N-[(4-fluorophenyl)methyl]-5-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 160428995
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-(trifluoromethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-(hydroxymethyl)-3-methyl-4-[2-(2,2,2-trifluoroethoxyamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-(hydroxymethyl)-2-(propan-2-ylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 162053875
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;ethyl 4-[2-(cyclohexylamino)-5-(hydroxymethyl)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate;ethyl 4-[5-(hydroxymethyl)-2-(4-sulfamoylanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 157524223
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-(4-chlorophenyl)-4,5-dimethyl-1-(pyrimidin-5-ylmethyl)pyrrole-2-carboxylic acid;[3-(4-chlorophenyl)-4,5-dimethyl-1-(pyrimidin-5-ylmethyl)pyrrol-2-yl]-morpholin-4-ylmethanone;ethyl 3-(4-chlorophenyl)-4,5-dimethyl-1-(pyrimidin-5-ylmethyl)pyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylate
CID 157947095
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-1H-pyrrole-2-carboxamide;bis(4-(6-chloropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide);ethyl 4-(2-chloro-5-cyano-4-pyridinyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 158689983
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-(hydroxymethyl)-5-methyl-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;ethyl 4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 159214294
4-(2-chloro-5-cyano-4-pyridinyl)-N-(1,2-dihydroxy-2-phenylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(hydroxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methoxy-5-methyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrrole-2-carboxamide;4-(6-chloropyrimidin-4-yl)-N-(1,2-dihydroxy-2-pyridin-3-ylethyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 160325651
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-(2-morpholin-4-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1H-pyrrole-2-carboxamide;3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid;(2S)-2-[[4-[5-(1-hydroxyethenyl)-2,4-dimethyl-1H-pyrrol-3-yl]pyrimidin-2-yl]amino]butan-1-ol;methane
CID 161082021

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide (CID 161190632) is 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide is COCc1cnc(Cl)cc1-c1c(C)[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C.Cc1[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(C)c1-c1cc(Cl)ncc1C#N.Cc1[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(N)c1-c1cc(Cl)ncc1F.Cc1c(C(=O)N[C@H](CO)c2cccc(Cl)c2)[nH]c(CO)c1-c1cc(Cl)ncn1.
What is the InChIKey of 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is UTRDBYCYELICSJ-HTIXQUCWSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3.C21H18Cl2N4O2.C19H17Cl2FN4O2.C19H18Cl2N4O3/c1-12-20(17-8-19(24)25-9-15(17)11-30-3)13(2)26-21(12)22(29)27-18(10-28)14-5-4-6-16(23)7-14;1-11-19(16-7-18(23)25-9-14(16)8-24)12(2)26-20(11)21(29)27-17(10-28)13-4-3-5-15(22)6-13;1-9-16(12-6-15(21)24-7-13(12)22)17(23)18(25-9)19(28)26-14(8-27)10-3-2-4-11(20)5-10;1-10-17(13-6-16(21)23-9-22-13)15(8-27)24-18(10)19(28)25-14(7-26)11-3-2-4-12(20)5-11/h4-9,18,26,28H,10-11H2,1-3H3,(H,27,29);3-7,9,17,26,28H,10H2,1-2H3,(H,27,29);2-7,14,25,27H,8,23H2,1H3,(H,26,28);2-6,9,14,24,26-27H,7-8H2,1H3,(H,25,28)/t18-;17-;2*14-/m1111/s1.
What are the key properties of 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide?
3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 1722.22 g/mol, XLogP of 15.86, 23 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-chloro-5-fluoro-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-cyano-4-pyridinyl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-[2-chloro-5-(methoxymethyl)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 161190632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).