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

C63H49Cl3N12O5 — CID 158032408

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate (PubChem CID 158032408) has the molecular formula C63H49Cl3N12O5 and a molecular weight of 1160.52 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
• PubChem CID: 158032408
• Molecular Formula: C63H49Cl3N12O5
• Molecular Weight: 1160.52 g/mol
• Exact Mass: 1158.30
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
• SMILES: COC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.O=C(O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1
• InChI: InChI=1S/C26H23ClN6O.C19H14ClN3O2.C18H12ClN3O2/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;1-25-19(24)18-15-4-2-3-5-17(15)22-23(18)11-12-6-7-16-13(8-12)9-14(20)10-21-16;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/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34);2-10H,11H2,1H3;1-9H,10H2,(H,23,24)
• InChIKey: FHIKONJLQKKITD-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 223.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1160.52
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate (CID 158032408) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate.

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

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate is COC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.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;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate?

The InChIKey is FHIKONJLQKKITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C19H14ClN3O2.C18H12ClN3O2/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;1-25-19(24)18-15-4-2-3-5-17(15)22-23(18)11-12-6-7-16-13(8-12)9-14(20)10-21-16;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/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34);2-10H,11H2,1H3;1-9H,10H2,(H,23,24).

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate has a molecular weight of 1160.52 g/mol, XLogP of 12.87, 11 rotatable bonds, 3 hydrogen bond donors, and 15 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;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate is sourced from PubChem (CID 158032408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).