N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride

C₅₂H₅₂Cl₄N₁₀O₆ — CID 159997520

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride (PubChem CID 159997520) has the molecular formula C₅₂H₅₂Cl₄N₁₀O₆ and a molecular weight of 1054.86 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride
• PubChem CID: 159997520
• Molecular Formula: C₅₂H₅₂Cl₄N₁₀O₆
• Molecular Weight: 1054.86 g/mol
• Exact Mass: 1052.28
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride
• SMILES: CNOC.CON(C)C(=O)Cc1ccc2cc(Cl)cnc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)c2ccccn12.Cl.O=C(O)Cc1ccc2cc(Cl)cnc2c1
• InChI: InChI=1S/C26H23ClN6O.C13H13ClN2O2.C11H8ClNO2.C2H7NO.ClH/c1-15-9-24(28)31-16(2)20(15)14-30-26(34)25-32-22(23-5-3-4-8-33(23)25)11-17-6-7-21-18(10-17)12-19(27)13-29-21;1-16(18-2)13(17)6-9-3-4-10-7-11(14)8-15-12(10)5-9;12-9-5-8-2-1-7(4-11(14)15)3-10(8)13-6-9;1-3-4-2;/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34);3-5,7-8H,6H2,1-2H3;1-3,5-6H,4H2,(H,14,15);3H,1-2H3;1H
• InChIKey: FWPSTOJTBKCJJZ-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 212.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1054.86
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', '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]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride (CID 159997520) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride is CNOC.CON(C)C(=O)Cc1ccc2cc(Cl)cnc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)c2ccccn12.Cl.O=C(O)Cc1ccc2cc(Cl)cnc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride?

The InChIKey is FWPSTOJTBKCJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C13H13ClN2O2.C11H8ClNO2.C2H7NO.ClH/c1-15-9-24(28)31-16(2)20(15)14-30-26(34)25-32-22(23-5-3-4-8-33(23)25)11-17-6-7-21-18(10-17)12-19(27)13-29-21;1-16(18-2)13(17)6-9-3-4-10-7-11(14)8-15-12(10)5-9;12-9-5-8-2-1-7(4-11(14)15)3-10(8)13-6-9;1-3-4-2;/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34);3-5,7-8H,6H2,1-2H3;1-3,5-6H,4H2,(H,14,15);3H,1-2H3;1H.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride has a molecular weight of 1054.86 g/mol, XLogP of 9.81, 11 rotatable bonds, 4 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]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2-(3-chloroquinolin-7-yl)acetic acid;2-(3-chloroquinolin-7-yl)-N-methoxy-N-methylacetamide;N-methoxymethanamine;hydrochloride is sourced from PubChem (CID 159997520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159997520 — identifiers, structure, computed properties (public domain)

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