dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate

C54H46Cl2K2N12O6 — CID 158531293

IUPACdipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate
SMILESC.Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1.Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C26H21ClN6O2.C26H19ClN6O.CH2O3.CH4.2K.H/c1-14-6-17-7-15(9-21(25(28)34)24(17)30-12-14)8-19-10-16(4-5-29-19)26(35)31-13-23-20-11-18(27)2-3-22(20)32-33-23;1-15-6-18-7-16(8-19(12-28)25(18)30-13-15)9-21-10-17(4-5-29-21)26(34)31-14-24-22-11-20(27)2-3-23(22)32-33-24;2-1-4-3;;;;/h2-7,9-12H,8,13H2,1H3,(H2,28,34)(H,31,35)(H,32,33);2-8,10-11,13H,9,14H2,1H3,(H,31,34)(H,32,33);1,3H;1H4;;;/q;;;;2*+1;-1/p-1
InChIKeyVLBDNGZZCFHNJF-UHFFFAOYSA-M
MW1108.14 g/mol
LogP2.14
Rot. Bonds12

About dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate

dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate (PubChem CID 158531293) has the molecular formula C54H46Cl2K2N12O6 and a molecular weight of 1108.14 g/mol. Its IUPAC name is dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate.

Molecular Properties

Compound Namedipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate
PubChem CID158531293
Molecular FormulaC54H46Cl2K2N12O6
Molecular Weight1108.14 g/mol
Exact Mass1106.23
IUPAC Namedipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate
SMILESC.Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1.Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C26H21ClN6O2.C26H19ClN6O.CH2O3.CH4.2K.H/c1-14-6-17-7-15(9-21(25(28)34)24(17)30-12-14)8-19-10-16(4-5-29-19)26(35)31-13-23-20-11-18(27)2-3-22(20)32-33-23;1-15-6-18-7-16(8-19(12-28)25(18)30-13-15)9-21-10-17(4-5-29-21)26(34)31-14-24-22-11-20(27)2-3-23(22)32-33-24;2-1-4-3;;;;/h2-7,9-12H,8,13H2,1H3,(H2,28,34)(H,31,35)(H,32,33);2-8,10-11,13H,9,14H2,1H3,(H,31,34)(H,32,33);1,3H;1H4;;;/q;;;;2*+1;-1/p-1
InChIKeyVLBDNGZZCFHNJF-UHFFFAOYSA-M
XLogP2.14
TPSA283.36 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.14
LogP ≤ 52.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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'}

Analyze dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate 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

US10301284, Example 55
CID 134178038
US10023557, Example 37
CID 118212832
US10023557, Example 54
CID 118665197
US10023557, Example 82
CID 118665290
US10023557, Example 75
CID 118665301
US10023557, Example 60
CID 118665317
US10023557, Example 284
CID 124183149
US10023557, Example 309
CID 124183343
US10301284, Example 48
CID 134178029
US10023557, Example 299
CID 124182366
US10023557, Example 312
CID 124183369
6-[[6-[3-chloro-5-[[[2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carbonyl]amino]methyl]-6-fluoro-1H-indol-2-yl]-4-[(3-chloro-6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
CID 130428209

Frequently Asked Questions

What is the IUPAC name of dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate?
The IUPAC name of dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate (CID 158531293) is dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate.
What is the SMILES notation for dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate?
The canonical SMILES for dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate is C.Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1.Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate?
The InChIKey is VLBDNGZZCFHNJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H21ClN6O2.C26H19ClN6O.CH2O3.CH4.2K.H/c1-14-6-17-7-15(9-21(25(28)34)24(17)30-12-14)8-19-10-16(4-5-29-19)26(35)31-13-23-20-11-18(27)2-3-22(20)32-33-23;1-15-6-18-7-16(8-19(12-28)25(18)30-13-15)9-21-10-17(4-5-29-21)26(34)31-14-24-22-11-20(27)2-3-23(22)32-33-24;2-1-4-3;;;;/h2-7,9-12H,8,13H2,1H3,(H2,28,34)(H,31,35)(H,32,33);2-8,10-11,13H,9,14H2,1H3,(H,31,34)(H,32,33);1,3H;1H4;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate?
dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate has a molecular weight of 1108.14 g/mol, XLogP of 2.14, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;hydride;methane;oxido formate is sourced from PubChem (CID 158531293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).