dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate

C82H54Cl3F3K2N18O8 — CID 157286036

About dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate

dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate (PubChem CID 157286036) has the molecular formula C82H54Cl3F3K2N18O8 and a molecular weight of 1661.00 g/mol. Its IUPAC name is dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate
• PubChem CID: 157286036
• Molecular Formula: C82H54Cl3F3K2N18O8
• Molecular Weight: 1661.00 g/mol
• Exact Mass: 1658.27
• IUPAC Name: dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate
• SMILES: N#Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1.N#Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1.N#Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/2C27H18ClFN6O2.C27H16ClFN6O.CH2O3.2K.H/c2*28-21-13-33-22-2-1-17(24(29)23(21)22)12-35-27(37)16-3-4-32-19(9-16)7-14-5-18-6-15(10-30)11-34-25(18)20(8-14)26(31)36;28-22-14-33-23-2-1-18(25(29)24(22)23)13-35-27(36)17-3-4-32-21(9-17)8-15-5-19-7-16(10-30)12-34-26(19)20(6-15)11-31;2-1-4-3;;;/h2*1-6,8-9,11,13,33H,7,12H2,(H2,31,36)(H,35,37);1-7,9,12,14,33H,8,13H2,(H,35,36);1,3H;;;/q;;;;2*+1;-1/p-1
• InChIKey: VIRLCZZBJPOGQO-UHFFFAOYSA-M
• XLogP: 6.51
• TPSA: 442.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1661.00
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate?

The IUPAC name of dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate (CID 157286036) is dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate.

What is the SMILES notation for dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate?

The canonical SMILES for dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate is N#Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1.N#Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1.N#Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate?

The InChIKey is VIRLCZZBJPOGQO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C27H18ClFN6O2.C27H16ClFN6O.CH2O3.2K.H/c2*28-21-13-33-22-2-1-17(24(29)23(21)22)12-35-27(37)16-3-4-32-19(9-16)7-14-5-18-6-15(10-30)11-34-25(18)20(8-14)26(31)36;28-22-14-33-23-2-1-18(25(29)24(22)23)13-35-27(36)17-3-4-32-21(9-17)8-15-5-19-7-16(10-30)12-34-26(19)20(6-15)11-31;2-1-4-3;;;/h2*1-6,8-9,11,13,33H,7,12H2,(H2,31,36)(H,35,37);1-7,9,12,14,33H,8,13H2,(H,35,36);1,3H;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate?

dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate has a molecular weight of 1661.00 g/mol, XLogP of 6.51, 18 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;bis(6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide);N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3,8-dicyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;oxido formate is sourced from PubChem (CID 157286036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).