methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid

C61H63ClIN13O5 — CID 157079642

About methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid

methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid (PubChem CID 157079642) has the molecular formula C61H63ClIN13O5 and a molecular weight of 1220.62 g/mol. Its IUPAC name is methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid
• PubChem CID: 157079642
• Molecular Formula: C61H63ClIN13O5
• Molecular Weight: 1220.62 g/mol
• Exact Mass: 1219.38
• IUPAC Name: methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid
• SMILES: CN1CCCc2cc(CN)ccc21.COC(=O)c1cc(I)cnc1Cl.Cc1cncc(-c2cnc(-n3ccc(C)n3)c(C(=O)NCc3ccc4c(c3)CCCN4C)c2)c1.Cc1cncc(-c2cnc(-n3ccc(C)n3)c(C(=O)O)c2)c1
• InChI: InChI=1S/C27H28N6O.C16H14N4O2.C11H16N2.C7H5ClINO2/c1-18-11-22(16-28-14-18)23-13-24(26(29-17-23)33-10-8-19(2)31-33)27(34)30-15-20-6-7-25-21(12-20)5-4-9-32(25)3;1-10-5-12(8-17-7-10)13-6-14(16(21)22)15(18-9-13)20-4-3-11(2)19-20;1-13-6-2-3-10-7-9(8-12)4-5-11(10)13;1-12-7(11)5-2-4(9)3-10-6(5)8/h6-8,10-14,16-17H,4-5,9,15H2,1-3H3,(H,30,34);3-9H,1-2H3,(H,21,22);4-5,7H,2-3,6,8,12H2,1H3;2-3H,1H3
• InChIKey: ADJOLXHAJPAZOH-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 225.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1220.62
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid?

The IUPAC name of methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid (CID 157079642) is methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid.

What is the SMILES notation for methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid?

The canonical SMILES for methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid is CN1CCCc2cc(CN)ccc21.COC(=O)c1cc(I)cnc1Cl.Cc1cncc(-c2cnc(-n3ccc(C)n3)c(C(=O)NCc3ccc4c(c3)CCCN4C)c2)c1.Cc1cncc(-c2cnc(-n3ccc(C)n3)c(C(=O)O)c2)c1.

What is the InChIKey of methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid?

The InChIKey is ADJOLXHAJPAZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O.C16H14N4O2.C11H16N2.C7H5ClINO2/c1-18-11-22(16-28-14-18)23-13-24(26(29-17-23)33-10-8-19(2)31-33)27(34)30-15-20-6-7-25-21(12-20)5-4-9-32(25)3;1-10-5-12(8-17-7-10)13-6-14(16(21)22)15(18-9-13)20-4-3-11(2)19-20;1-13-6-2-3-10-7-9(8-12)4-5-11(10)13;1-12-7(11)5-2-4(9)3-10-6(5)8/h6-8,10-14,16-17H,4-5,9,15H2,1-3H3,(H,30,34);3-9H,1-2H3,(H,21,22);4-5,7H,2-3,6,8,12H2,1H3;2-3H,1H3.

What are the key properties of methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid?

methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid has a molecular weight of 1220.62 g/mol, XLogP of 10.56, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-chloro-5-iodopyridine-3-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine;N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-methylpyrazol-1-yl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 157079642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).