N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate

C84H70Cl5N15O7 — CID 161318079

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate (PubChem CID 161318079) has the molecular formula C84H70Cl5N15O7 and a molecular weight of 1578.85 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate
• PubChem CID: 161318079
• Molecular Formula: C84H70Cl5N15O7
• Molecular Weight: 1578.85 g/mol
• Exact Mass: 1575.40
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate
• SMILES: C.COC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.COC(=O)c1n[nH]c2ccccc12.COC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.ClCc1ccc2ncc(Cl)cc2c1
• InChI: InChI=1S/C26H23ClN6O.2C19H14ClN3O2.C10H7Cl2N.C9H8N2O2.CH4/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)33(32-25)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)23(22-18)11-12-6-7-16-13(8-12)9-14(20)10-21-16;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;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-13-9(12)8-6-4-2-3-5-7(6)10-11-8;/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34);2*2-10H,11H2,1H3;1-4,6H,5H2;2-5H,1H3,(H,10,11);1H4
• InChIKey: VJTOWLLADAGKJD-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 280.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.85
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate (CID 161318079) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate is C.COC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.COC(=O)c1n[nH]c2ccccc12.COC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.ClCc1ccc2ncc(Cl)cc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate?

The InChIKey is VJTOWLLADAGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.2C19H14ClN3O2.C10H7Cl2N.C9H8N2O2.CH4/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)33(32-25)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)23(22-18)11-12-6-7-16-13(8-12)9-14(20)10-21-16;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;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-13-9(12)8-6-4-2-3-5-7(6)10-11-8;/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34);2*2-10H,11H2,1H3;1-4,6H,5H2;2-5H,1H3,(H,10,11);1H4.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate has a molecular weight of 1578.85 g/mol, XLogP of 18.57, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 161318079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).