N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid

C43H41Cl3N12O3 — CID 157171796

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 157171796) has the molecular formula C43H41Cl3N12O3 and a molecular weight of 880.24 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid
• PubChem CID: 157171796
• Molecular Formula: C43H41Cl3N12O3
• Molecular Weight: 880.24 g/mol
• Exact Mass: 878.25
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ncc3cc(Cl)ccc32)c1.Cc1nc(N)cc(Cl)c1CN.O=C(O)c1ccnc(Cn2ncc3cc(Cl)ccc32)c1
• InChI: InChI=1S/C22H21ClN6O.C14H10ClN3O2.C7H10ClN3/c1-13-7-21(24)28-14(2)19(13)11-26-22(30)15-5-6-25-18(9-15)12-29-20-4-3-17(23)8-16(20)10-27-29;15-11-1-2-13-10(5-11)7-17-18(13)8-12-6-9(14(19)20)3-4-16-12;1-4-5(3-9)6(8)2-7(10)11-4/h3-10H,11-12H2,1-2H3,(H2,24,28)(H,26,30);1-7H,8H2,(H,19,20);2H,3,9H2,1H3,(H2,10,11)
• InChIKey: ANNZKWBGSSXYEN-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 231.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	880.24
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid (CID 157171796) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid.

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

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ncc3cc(Cl)ccc32)c1.Cc1nc(N)cc(Cl)c1CN.O=C(O)c1ccnc(Cn2ncc3cc(Cl)ccc32)c1.

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

The InChIKey is ANNZKWBGSSXYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O.C14H10ClN3O2.C7H10ClN3/c1-13-7-21(24)28-14(2)19(13)11-26-22(30)15-5-6-25-18(9-15)12-29-20-4-3-17(23)8-16(20)10-27-29;15-11-1-2-13-10(5-11)7-17-18(13)8-12-6-9(14(19)20)3-4-16-12;1-4-5(3-9)6(8)2-7(10)11-4/h3-10H,11-12H2,1-2H3,(H2,24,28)(H,26,30);1-7H,8H2,(H,19,20);2H,3,9H2,1H3,(H2,10,11).

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 880.24 g/mol, XLogP of 7.57, 9 rotatable bonds, 5 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]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157171796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).