N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile

C140H139N17O17 — CID 167667895

IUPACN-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile
SMILESCC(C#N)NC(=O)C(CC1=C(O)C(=O)CC=N1)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1.CC(CO)(CC1=C(O)C(=O)CC=N1)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1.N#CC1CCN(Cc2ccc(C#Cc3ccc([C@@H](CO)CC4=C(O)C(=O)CC=N4)cc3)cc2)C1.[C-]#[N+][C@@H]1CCN(Cc2ccc(C#Cc3ccc(C(CO)Cc4nc[nH]c(=O)c4O)cc3)cc2)C1.[C-]#[N+][C@H]1CCN(Cc2ccc(C#Cc3ccc(C(CO)Cc4nc[nH]c(=O)c4O)cc3)cc2)C1
InChIInChI=1S/C30H30N4O4.C28H27N3O3.C28H30N2O4.2C27H26N4O3/c1-21(19-31)33-30(37)26(18-27-29(36)28(35)12-13-32-27)25-10-8-23(9-11-25)3-2-22-4-6-24(7-5-22)20-34-14-16-38-17-15-34;29-16-23-12-14-31(18-23)17-22-5-3-20(4-6-22)1-2-21-7-9-24(10-8-21)25(19-32)15-26-28(34)27(33)11-13-30-26;1-28(20-31,18-25-27(33)26(32)12-13-29-25)24-10-8-22(9-11-24)3-2-21-4-6-23(7-5-21)19-30-14-16-34-17-15-30;2*1-28-24-12-13-31(16-24)15-21-6-4-19(5-7-21)2-3-20-8-10-22(11-9-20)23(17-32)14-25-26(33)27(34)30-18-29-25/h4-11,13,21,26,36H,12,14-18,20H2,1H3,(H,33,37);3-10,13,23,25,32,34H,11-12,14-15,17-19H2;4-11,13,31,33H,12,14-20H2,1H3;2*4-11,18,23-24,32-33H,12-17H2,(H,29,30,34)/t;23?,25-;;2*23?,24-/m.1.10/s1
InChIKeySXDMJUSJXWLAAH-MLSGBDJTSA-N
MW2331.75 g/mol
LogP15.69
Rot. Bonds31

About N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile

N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile (PubChem CID 167667895) has the molecular formula C140H139N17O17 and a molecular weight of 2331.75 g/mol. Its IUPAC name is N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound NameN-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile
PubChem CID167667895
Molecular FormulaC140H139N17O17
Molecular Weight2331.75 g/mol
Exact Mass2330.05
IUPAC NameN-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile
SMILESCC(C#N)NC(=O)C(CC1=C(O)C(=O)CC=N1)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1.CC(CO)(CC1=C(O)C(=O)CC=N1)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1.N#CC1CCN(Cc2ccc(C#Cc3ccc([C@@H](CO)CC4=C(O)C(=O)CC=N4)cc3)cc2)C1.[C-]#[N+][C@@H]1CCN(Cc2ccc(C#Cc3ccc(C(CO)Cc4nc[nH]c(=O)c4O)cc3)cc2)C1.[C-]#[N+][C@H]1CCN(Cc2ccc(C#Cc3ccc(C(CO)Cc4nc[nH]c(=O)c4O)cc3)cc2)C1
InChIInChI=1S/C30H30N4O4.C28H27N3O3.C28H30N2O4.2C27H26N4O3/c1-21(19-31)33-30(37)26(18-27-29(36)28(35)12-13-32-27)25-10-8-23(9-11-25)3-2-22-4-6-24(7-5-22)20-34-14-16-38-17-15-34;29-16-23-12-14-31(18-23)17-22-5-3-20(4-6-22)1-2-21-7-9-24(10-8-21)25(19-32)15-26-28(34)27(33)11-13-30-26;1-28(20-31,18-25-27(33)26(32)12-13-29-25)24-10-8-22(9-11-24)3-2-21-4-6-23(7-5-21)19-30-14-16-34-17-15-30;2*1-28-24-12-13-31(16-24)15-21-6-4-19(5-7-21)2-3-20-8-10-22(11-9-20)23(17-32)14-25-26(33)27(34)30-18-29-25/h4-11,13,21,26,36H,12,14-18,20H2,1H3,(H,33,37);3-10,13,23,25,32,34H,11-12,14-15,17-19H2;4-11,13,31,33H,12,14-20H2,1H3;2*4-11,18,23-24,32-33H,12-17H2,(H,29,30,34)/t;23?,25-;;2*23?,24-/m.1.10/s1
InChIKeySXDMJUSJXWLAAH-MLSGBDJTSA-N
XLogP15.69
TPSA481.92 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002331.75
LogP ≤ 515.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(5-hydroxy-6-oxo-1H-pyrimidin-4-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]azetidine-3-carbonitrile
CID 146447406
(3S)-1-[[4-[2-[4-[1-(3-cyanoazetidin-1-yl)-3-(5-hydroxy-6-oxo-1H-pyrimidin-4-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile
CID 146447085
5-hydroxy-6-[3-hydroxy-2-[4-[2-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one
CID 167557146
4-[(2S)-3-[cyclopropyl(methyl)amino]-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-5-hydroxy-1H-pyrimidin-6-one
CID 146447269
4-[3-(3-fluoroazetidin-1-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-5-hydroxy-1H-pyrimidin-6-one
CID 146447155
4-[3-[(1-fluoro-2-methylpropan-2-yl)amino]-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-5-hydroxy-1H-pyrimidin-6-one
CID 146447376
N-[3-(5-hydroxy-6-oxo-1H-pyrimidin-4-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]acetamide
CID 146447116
5-hydroxy-4-[(2S)-3-(3-methoxyazetidin-1-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one
CID 146447220
4-[(2S)-3-[[(2R)-1-fluoropropan-2-yl]amino]-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-5-hydroxy-1H-pyrimidin-6-one
CID 146447091
N-[(3R)-1-[[4-[2-[4-[1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 161299396
6-[3-(2-fluoropropylamino)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-5-hydroxy-3H-pyridin-4-one
CID 167628251
1-[(2S)-3-[5,6-bis(phenylmethoxy)pyrimidin-4-yl]-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]azetidine-3-carbonitrile;1-[(2S)-3-(5-hydroxy-6-oxo-1H-pyrimidin-4-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]azetidine-3-carbonitrile
CID 159384643

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile?
The IUPAC name of N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile (CID 167667895) is N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile is CC(C#N)NC(=O)C(CC1=C(O)C(=O)CC=N1)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1.CC(CO)(CC1=C(O)C(=O)CC=N1)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1.N#CC1CCN(Cc2ccc(C#Cc3ccc([C@@H](CO)CC4=C(O)C(=O)CC=N4)cc3)cc2)C1.[C-]#[N+][C@@H]1CCN(Cc2ccc(C#Cc3ccc(C(CO)Cc4nc[nH]c(=O)c4O)cc3)cc2)C1.[C-]#[N+][C@H]1CCN(Cc2ccc(C#Cc3ccc(C(CO)Cc4nc[nH]c(=O)c4O)cc3)cc2)C1.
What is the InChIKey of N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile?
The InChIKey is SXDMJUSJXWLAAH-MLSGBDJTSA-N. The full InChI is InChI=1S/C30H30N4O4.C28H27N3O3.C28H30N2O4.2C27H26N4O3/c1-21(19-31)33-30(37)26(18-27-29(36)28(35)12-13-32-27)25-10-8-23(9-11-25)3-2-22-4-6-24(7-5-22)20-34-14-16-38-17-15-34;29-16-23-12-14-31(18-23)17-22-5-3-20(4-6-22)1-2-21-7-9-24(10-8-21)25(19-32)15-26-28(34)27(33)11-13-30-26;1-28(20-31,18-25-27(33)26(32)12-13-29-25)24-10-8-22(9-11-24)3-2-21-4-6-23(7-5-21)19-30-14-16-34-17-15-30;2*1-28-24-12-13-31(16-24)15-21-6-4-19(5-7-21)2-3-20-8-10-22(11-9-20)23(17-32)14-25-26(33)27(34)30-18-29-25/h4-11,13,21,26,36H,12,14-18,20H2,1H3,(H,33,37);3-10,13,23,25,32,34H,11-12,14-15,17-19H2;4-11,13,31,33H,12,14-20H2,1H3;2*4-11,18,23-24,32-33H,12-17H2,(H,29,30,34)/t;23?,25-;;2*23?,24-/m.1.10/s1.
What are the key properties of N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile?
N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile has a molecular weight of 2331.75 g/mol, XLogP of 15.69, 31 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propanamide;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-4-[3-hydroxy-2-[4-[2-[4-[[(3S)-3-isocyanopyrrolidin-1-yl]methyl]phenyl]ethynyl]phenyl]propyl]-1H-pyrimidin-6-one;5-hydroxy-6-[3-hydroxy-2-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-3H-pyridin-4-one;1-[[4-[2-[4-[(2S)-1-hydroxy-3-(5-hydroxy-4-oxo-3H-pyridin-6-yl)propan-2-yl]phenyl]ethynyl]phenyl]methyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 167667895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).