dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate

C47H43ClK2N8O7 — CID 158037900

About dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate

dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate (PubChem CID 158037900) has the molecular formula C47H43ClK2N8O7 and a molecular weight of 945.56 g/mol. Its IUPAC name is dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate
• PubChem CID: 158037900
• Molecular Formula: C47H43ClK2N8O7
• Molecular Weight: 945.56 g/mol
• Exact Mass: 944.22
• IUPAC Name: dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate
• SMILES: CCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H21ClN4O2.C23H20N4O2.CH2O3.2K.H/c1-3-28-21(20(15-25)19-10-9-18(30-2)14-22(19)28)11-6-16-4-7-17(8-5-16)27-23(29)26-13-12-24;1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28;2-1-4-3;;;/h4-5,7-10,14H,3,12-13H2,1-2H3,(H2,26,27,29);4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28);1,3H;;;/q;;;2*+1;-1/p-1
• InChIKey: YRLDAQNRDVOPJE-UHFFFAOYSA-M
• XLogP: 0.33
• TPSA: 198.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.56
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate?

The IUPAC name of dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate (CID 158037900) is dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate.

What is the SMILES notation for dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate?

The canonical SMILES for dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate is CCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate?

The InChIKey is YRLDAQNRDVOPJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H21ClN4O2.C23H20N4O2.CH2O3.2K.H/c1-3-28-21(20(15-25)19-10-9-18(30-2)14-22(19)28)11-6-16-4-7-17(8-5-16)27-23(29)26-13-12-24;1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28;2-1-4-3;;;/h4-5,7-10,14H,3,12-13H2,1-2H3,(H2,26,27,29);4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28);1,3H;;;/q;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate?

dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate has a molecular weight of 945.56 g/mol, XLogP of 0.33, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-(2-chloroethyl)-3-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea;1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile;hydride;oxido formate is sourced from PubChem (CID 158037900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).