N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane

C52H52Cl4N14O3 — CID 158811211

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane (PubChem CID 158811211) has the molecular formula C52H52Cl4N14O3 and a molecular weight of 1062.89 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane
• PubChem CID: 158811211
• Molecular Formula: C52H52Cl4N14O3
• Molecular Weight: 1062.89 g/mol
• Exact Mass: 1060.31
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane
• SMILES: C.C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12
• InChI: InChI=1S/C25H21Cl2N7O.C17H10Cl2N4O2.C8H13N3.2CH4/c1-13-7-21(28)32-14(2)18(13)11-31-25(35)23-22-20(5-6-29-24(22)27)34(33-23)12-15-3-4-19-16(8-15)9-17(26)10-30-19;18-11-6-10-5-9(1-2-12(10)21-7-11)8-23-13-3-4-20-16(19)14(13)15(22-23)17(24)25;1-5-3-8(10)11-6(2)7(5)4-9;;/h3-10H,11-12H2,1-2H3,(H2,28,32)(H,31,35);1-7H,8H2,(H,24,25);3H,4,9H2,1-2H3,(H2,10,11);2*1H4
• InChIKey: IUSFFFWKLAZLPK-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 257.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1062.89
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane (CID 158811211) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane is C.C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane?

The InChIKey is IUSFFFWKLAZLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N7O.C17H10Cl2N4O2.C8H13N3.2CH4/c1-13-7-21(28)32-14(2)18(13)11-31-25(35)23-22-20(5-6-29-24(22)27)34(33-23)12-15-3-4-19-16(8-15)9-17(26)10-30-19;18-11-6-10-5-9(1-2-12(10)21-7-11)8-23-13-3-4-20-16(19)14(13)15(22-23)17(24)25;1-5-3-8(10)11-6(2)7(5)4-9;;/h3-10H,11-12H2,1-2H3,(H2,28,32)(H,31,35);1-7H,8H2,(H,24,25);3H,4,9H2,1-2H3,(H2,10,11);2*1H4.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane has a molecular weight of 1062.89 g/mol, XLogP of 10.90, 9 rotatable bonds, 5 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]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 158811211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).