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

C51H38Cl4N12O3 — CID 159097267

About 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

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 159097267) has the molecular formula C51H38Cl4N12O3 and a molecular weight of 1008.76 g/mol. Its IUPAC name is 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 Name: 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: 159097267
• Molecular Formula: C51H38Cl4N12O3
• Molecular Weight: 1008.76 g/mol
• Exact Mass: 1006.19
• IUPAC Name: 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
• SMILES: C.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
• InChI: InChI=1S/C25H16Cl2N6O.C17H10ClN3O2.C8H8ClN3.CH4/c26-18-1-2-22-21(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;/h1-6,8-10,12H,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
• InChIKey: KCVBKPRHSXSBQM-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 248.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1008.76
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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 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 159097267) is 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 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 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)O)ccn2)cc2cc(Cl)cnc12.NCc1[nH]nc2ccc(Cl)cc12.

What is the InChIKey of 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 KCVBKPRHSXSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N6O.C17H10ClN3O2.C8H8ClN3.CH4/c26-18-1-2-22-21(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;/h1-6,8-10,12H,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 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?

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 1008.76 g/mol, XLogP of 10.96, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 159097267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).