4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide

C142H126N30O9 — CID 157288663

IUPAC4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
SMILESC/C=C/C(=O)NCc1ccc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccc(O)c(OC)c4)n3)c2)cc1C.COc1cc(-c2cncc(C[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)ccc1-c1cnc(C#N)nc1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3ccnc(C#N)n3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccc(-c5cnc(C#N)nc5)cc4)n3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccnc(C#N)n4)n3)c2)c1
InChIInChI=1S/C33H34N4O4.C32H27N7O2.C31H25N7O.C25H21N7O.C21H19N5O/c1-5-7-32(39)35-18-26-11-10-25(14-21(26)2)33(40)37-27-9-6-8-23(16-27)22(3)15-28-19-34-20-29(36-28)24-12-13-30(38)31(17-24)41-4;1-20-9-24(15-34-14-20)32(40)39-26-6-4-5-22(11-26)21(2)10-27-18-35-19-29(38-27)23-7-8-28(30(12-23)41-3)25-16-36-31(13-33)37-17-25;1-20-10-25(15-33-14-20)31(39)38-27-5-3-4-24(12-27)21(2)11-28-18-34-19-29(37-28)23-8-6-22(7-9-23)26-16-35-30(13-32)36-17-26;1-16-8-19(13-27-12-16)25(33)31-20-5-3-4-18(10-20)17(2)9-21-14-28-15-23(30-21)22-6-7-29-24(11-26)32-22;1-14-8-17(13-23-12-14)21(27)26-18-5-3-4-16(10-18)15(2)9-19-6-7-24-20(11-22)25-19/h5-14,16-17,19-20,22,38H,15,18H2,1-4H3,(H,35,39)(H,37,40);4-9,11-12,14-19,21H,10H2,1-3H3,(H,39,40);3-10,12,14-19,21H,11H2,1-2H3,(H,38,39);3-8,10,12-15,17H,9H2,1-2H3,(H,31,33);3-8,10,12-13,15H,9H2,1-2H3,(H,26,27)/b7-5+;;;;/t22-;2*21-;17-;15-/m11111/s1
InChIKeyBANOUTQWCJWONA-XEHYFJLKSA-N
MW2396.77 g/mol
LogP25.27
Rot. Bonds36

About 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide

4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 157288663) has the molecular formula C142H126N30O9 and a molecular weight of 2396.77 g/mol. Its IUPAC name is 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID157288663
Molecular FormulaC142H126N30O9
Molecular Weight2396.77 g/mol
Exact Mass2395.03
IUPAC Name4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
SMILESC/C=C/C(=O)NCc1ccc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccc(O)c(OC)c4)n3)c2)cc1C.COc1cc(-c2cncc(C[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)ccc1-c1cnc(C#N)nc1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3ccnc(C#N)n3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccc(-c5cnc(C#N)nc5)cc4)n3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccnc(C#N)n4)n3)c2)c1
InChIInChI=1S/C33H34N4O4.C32H27N7O2.C31H25N7O.C25H21N7O.C21H19N5O/c1-5-7-32(39)35-18-26-11-10-25(14-21(26)2)33(40)37-27-9-6-8-23(16-27)22(3)15-28-19-34-20-29(36-28)24-12-13-30(38)31(17-24)41-4;1-20-9-24(15-34-14-20)32(40)39-26-6-4-5-22(11-26)21(2)10-27-18-35-19-29(38-27)23-7-8-28(30(12-23)41-3)25-16-36-31(13-33)37-17-25;1-20-10-25(15-33-14-20)31(39)38-27-5-3-4-24(12-27)21(2)11-28-18-34-19-29(37-28)23-8-6-22(7-9-23)26-16-35-30(13-32)36-17-26;1-16-8-19(13-27-12-16)25(33)31-20-5-3-4-18(10-20)17(2)9-21-14-28-15-23(30-21)22-6-7-29-24(11-26)32-22;1-14-8-17(13-23-12-14)21(27)26-18-5-3-4-16(10-18)15(2)9-19-6-7-24-20(11-22)25-19/h5-14,16-17,19-20,22,38H,15,18H2,1-4H3,(H,35,39)(H,37,40);4-9,11-12,14-19,21H,10H2,1-3H3,(H,39,40);3-10,12,14-19,21H,11H2,1-2H3,(H,38,39);3-8,10,12-15,17H,9H2,1-2H3,(H,31,33);3-8,10,12-13,15H,9H2,1-2H3,(H,26,27)/b7-5+;;;;/t22-;2*21-;17-;15-/m11111/s1
InChIKeyBANOUTQWCJWONA-XEHYFJLKSA-N
XLogP25.27
TPSA566.25 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002396.77
LogP ≤ 525.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide with MolForge

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Related Compounds

1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide
CID 157344377
N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 158299042
N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-3-fluorobenzamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide;5-[3-[(2R)-1-[6-(3-methoxy-4-methylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]pent-1-en-3-one
CID 158307218
N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;(Z)-N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)prop-2-enamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
CID 158520706
1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide
CID 158578857
1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid
CID 160757625
N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide
CID 160822694
N-[3-[(1S)-1-[[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 90289679
N-[3-[1-[[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 123923818
N-[3-[(1S)-1-[[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 137017524
4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(1S)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide
CID 137017530
2-cyano-N-[3-[(1S)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyrimidine-5-carboxamide
CID 137017533

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide (CID 157288663) is 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide is C/C=C/C(=O)NCc1ccc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccc(O)c(OC)c4)n3)c2)cc1C.COc1cc(-c2cncc(C[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)ccc1-c1cnc(C#N)nc1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3ccnc(C#N)n3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccc(-c5cnc(C#N)nc5)cc4)n3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4ccnc(C#N)n4)n3)c2)c1.
What is the InChIKey of 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is BANOUTQWCJWONA-XEHYFJLKSA-N. The full InChI is InChI=1S/C33H34N4O4.C32H27N7O2.C31H25N7O.C25H21N7O.C21H19N5O/c1-5-7-32(39)35-18-26-11-10-25(14-21(26)2)33(40)37-27-9-6-8-23(16-27)22(3)15-28-19-34-20-29(36-28)24-12-13-30(38)31(17-24)41-4;1-20-9-24(15-34-14-20)32(40)39-26-6-4-5-22(11-26)21(2)10-27-18-35-19-29(38-27)23-7-8-28(30(12-23)41-3)25-16-36-31(13-33)37-17-25;1-20-10-25(15-33-14-20)31(39)38-27-5-3-4-24(12-27)21(2)11-28-18-34-19-29(37-28)23-8-6-22(7-9-23)26-16-35-30(13-32)36-17-26;1-16-8-19(13-27-12-16)25(33)31-20-5-3-4-18(10-20)17(2)9-21-14-28-15-23(30-21)22-6-7-29-24(11-26)32-22;1-14-8-17(13-23-12-14)21(27)26-18-5-3-4-16(10-18)15(2)9-19-6-7-24-20(11-22)25-19/h5-14,16-17,19-20,22,38H,15,18H2,1-4H3,(H,35,39)(H,37,40);4-9,11-12,14-19,21H,10H2,1-3H3,(H,39,40);3-10,12,14-19,21H,11H2,1-2H3,(H,38,39);3-8,10,12-15,17H,9H2,1-2H3,(H,31,33);3-8,10,12-13,15H,9H2,1-2H3,(H,26,27)/b7-5+;;;;/t22-;2*21-;17-;15-/m11111/s1.
What are the key properties of 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide?
4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide has a molecular weight of 2396.77 g/mol, XLogP of 25.27, 36 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-but-2-enoyl]amino]methyl]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)-3-methoxyphenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-[4-(2-cyanopyrimidin-5-yl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-(2-cyanopyrimidin-4-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[6-(2-cyanopyrimidin-4-yl)pyrazin-2-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 157288663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).