bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane

C76H54Cl6N18O4 — CID 157375345

IUPACbis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane
SMILESC.N#Cc1cc(Cc2cc(C(=O)NCc3[nH]nc4ccc(Cl)cc34)ccn2)cc2cc(Cl)cnc12.N#Cc1cc(Cc2cc(C(=O)NCc3[nH]nc4ccc(Cl)cc34)ccn2)cc2cc(Cl)cnc12.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.NCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/2C25H16Cl2N6O.C17H10ClN3O2.C8H8ClN3.CH4/c2*26-18-1-2-22-21(10-18)23(33-32-22)13-31-25(34)15-3-4-29-20(9-15)7-14-5-16-8-19(27)12-30-24(16)17(6-14)11-28;18-14-6-12-3-10(4-13(8-19)16(12)21-9-14)5-15-7-11(17(22)23)1-2-20-15;9-5-1-2-7-6(3-5)8(4-10)12-11-7;/h2*1-6,8-10,12H,7,13H2,(H,31,34)(H,32,33);1-4,6-7,9H,5H2,(H,22,23);1-3H,4,10H2,(H,11,12);1H4
InChIKeyBKGLXQYZSRCJJW-UHFFFAOYSA-N
MW1496.11 g/mol
LogP16.17
Rot. Bonds14

About bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane

bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane (PubChem CID 157375345) has the molecular formula C76H54Cl6N18O4 and a molecular weight of 1496.11 g/mol. Its IUPAC name is bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane.

Molecular Properties

Compound Namebis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane
PubChem CID157375345
Molecular FormulaC76H54Cl6N18O4
Molecular Weight1496.11 g/mol
Exact Mass1492.27
IUPAC Namebis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane
SMILESC.N#Cc1cc(Cc2cc(C(=O)NCc3[nH]nc4ccc(Cl)cc34)ccn2)cc2cc(Cl)cnc12.N#Cc1cc(Cc2cc(C(=O)NCc3[nH]nc4ccc(Cl)cc34)ccn2)cc2cc(Cl)cnc12.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.NCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/2C25H16Cl2N6O.C17H10ClN3O2.C8H8ClN3.CH4/c2*26-18-1-2-22-21(10-18)23(33-32-22)13-31-25(34)15-3-4-29-20(9-15)7-14-5-16-8-19(27)12-30-24(16)17(6-14)11-28;18-14-6-12-3-10(4-13(8-19)16(12)21-9-14)5-15-7-11(17(22)23)1-2-20-15;9-5-1-2-7-6(3-5)8(4-10)12-11-7;/h2*1-6,8-10,12H,7,13H2,(H,31,34)(H,32,33);1-4,6-7,9H,5H2,(H,22,23);1-3H,4,10H2,(H,11,12);1H4
InChIKeyBKGLXQYZSRCJJW-UHFFFAOYSA-N
XLogP16.17
TPSA356.27 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001496.11
LogP ≤ 516.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane with MolForge

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Launch Full Analysis

Related Compounds

US10023557, Example 225
CID 124183147
US10023557, Example 317
CID 124183370
2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;deuterio(fluoro)methane;methane;hydrochloride
CID 157051368
(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 157090696
bis(N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine
CID 157126740
(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 157143690
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-isocyanopyrazole-5-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-5-carboxylic acid;methane
CID 157260050
(3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methane;2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 157337914
(3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 157405941
bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;deuterio(fluoro)methane;methane;hydrochloride
CID 157727281
(5-chloro-2H-indazol-3-yl)methanamine;bis(N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide);methane;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate
CID 157788454
tert-butyl 4-[6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinolin-3-yl]piperazine-1-carboxylate;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-piperazin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methane
CID 157790169

Frequently Asked Questions

What is the IUPAC name of bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane?
The IUPAC name of bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane (CID 157375345) is bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane.
What is the SMILES notation for bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane?
The canonical SMILES for bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane is C.N#Cc1cc(Cc2cc(C(=O)NCc3[nH]nc4ccc(Cl)cc34)ccn2)cc2cc(Cl)cnc12.N#Cc1cc(Cc2cc(C(=O)NCc3[nH]nc4ccc(Cl)cc34)ccn2)cc2cc(Cl)cnc12.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.NCc1[nH]nc2ccc(Cl)cc12.
What is the InChIKey of bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane?
The InChIKey is BKGLXQYZSRCJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H16Cl2N6O.C17H10ClN3O2.C8H8ClN3.CH4/c2*26-18-1-2-22-21(10-18)23(33-32-22)13-31-25(34)15-3-4-29-20(9-15)7-14-5-16-8-19(27)12-30-24(16)17(6-14)11-28;18-14-6-12-3-10(4-13(8-19)16(12)21-9-14)5-15-7-11(17(22)23)1-2-20-15;9-5-1-2-7-6(3-5)8(4-10)12-11-7;/h2*1-6,8-10,12H,7,13H2,(H,31,34)(H,32,33);1-4,6-7,9H,5H2,(H,22,23);1-3H,4,10H2,(H,11,12);1H4.
What are the key properties of bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane?
bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane has a molecular weight of 1496.11 g/mol, XLogP of 16.17, 14 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane is sourced from PubChem (CID 157375345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).