N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid

C52H48Cl2N12O3 — CID 159164985

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid (PubChem CID 159164985) has the molecular formula C52H48Cl2N12O3 and a molecular weight of 959.94 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid
• PubChem CID: 159164985
• Molecular Formula: C52H48Cl2N12O3
• Molecular Weight: 959.94 g/mol
• Exact Mass: 958.33
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid
• SMILES: Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.O=C(O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1
• InChI: InChI=1S/C26H23ClN6O.C18H12ClN3O2.C8H13N3/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)32-33(25)14-17-7-8-22-18(10-17)11-19(27)12-29-22;19-13-8-12-7-11(5-6-15(12)20-9-13)10-22-17(18(23)24)14-3-1-2-4-16(14)21-22;1-5-3-8(10)11-6(2)7(5)4-9/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34);1-9H,10H2,(H,23,24);3H,4,9H2,1-2H3,(H2,10,11)
• InChIKey: KKYNVPXDJJTDKZ-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 231.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	959.94
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid (CID 159164985) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid is Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.O=C(O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid?

The InChIKey is KKYNVPXDJJTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C18H12ClN3O2.C8H13N3/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)32-33(25)14-17-7-8-22-18(10-17)11-19(27)12-29-22;19-13-8-12-7-11(5-6-15(12)20-9-13)10-22-17(18(23)24)14-3-1-2-4-16(14)21-22;1-5-3-8(10)11-6(2)7(5)4-9/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34);1-9H,10H2,(H,23,24);3H,4,9H2,1-2H3,(H2,10,11).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid has a molecular weight of 959.94 g/mol, XLogP of 9.53, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 159164985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).