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

C50H44Cl4N14O3 — CID 158470639

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

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 (PubChem CID 158470639) has the molecular formula C50H44Cl4N14O3 and a molecular weight of 1030.81 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.

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
• PubChem CID: 158470639
• Molecular Formula: C50H44Cl4N14O3
• Molecular Weight: 1030.81 g/mol
• Exact Mass: 1028.25
• 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
• SMILES: 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/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)
• InChIKey: HGHOIZWGRKCOGB-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 257.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1030.81
LogP ≤ 5	9.63
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?

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 (CID 158470639) 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.

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?

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 is 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?

The InChIKey is HGHOIZWGRKCOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N7O.C17H10Cl2N4O2.C8H13N3/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).

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?

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 has a molecular weight of 1030.81 g/mol, XLogP of 9.63, 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 is sourced from PubChem (CID 158470639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).