lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride

C85H95ClLiN21O7 — CID 159526779

About lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride

lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride (PubChem CID 159526779) has the molecular formula C85H95ClLiN21O7 and a molecular weight of 1565.23 g/mol. Its IUPAC name is lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride
• PubChem CID: 159526779
• Molecular Formula: C85H95ClLiN21O7
• Molecular Weight: 1565.23 g/mol
• Exact Mass: 1563.76
• IUPAC Name: lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride
• SMILES: CC1=CC2C=NN(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)C2C=C1.CC1=CC2C=NN(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)C2C=C1.COC(=O)c1ccnc(Cn2ncc3cc(C)ccc32)c1.Cc1cc(N)nc(C)c1CN.Cc1ccc2c(cnn2Cc2cc(C(=O)O)ccn2)c1.Cl.[Li+].[OH-]
• InChI: InChI=1S/2C23H26N6O.C16H15N3O2.C15H13N3O2.C8H13N3.ClH.Li.H2O/c2*1-14-4-5-21-18(8-14)11-27-29(21)13-19-10-17(6-7-25-19)23(30)26-12-20-15(2)9-22(24)28-16(20)3;1-11-3-4-15-13(7-11)9-18-19(15)10-14-8-12(5-6-17-14)16(20)21-2;1-10-2-3-14-12(6-10)8-17-18(14)9-13-7-11(15(19)20)4-5-16-13;1-5-3-8(10)11-6(2)7(5)4-9;;;/h2*4-11,18,21H,12-13H2,1-3H3,(H2,24,28)(H,26,30);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H;;1H2/q;;;;;;+1;/p-1
• InChIKey: LBMLVCZUMBPWQD-UHFFFAOYSA-M
• XLogP: 8.87
• TPSA: 412.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1565.23
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride?

The IUPAC name of lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride (CID 159526779) is lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride.

What is the SMILES notation for lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride?

The canonical SMILES for lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride is CC1=CC2C=NN(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)C2C=C1.CC1=CC2C=NN(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)C2C=C1.COC(=O)c1ccnc(Cn2ncc3cc(C)ccc32)c1.Cc1cc(N)nc(C)c1CN.Cc1ccc2c(cnn2Cc2cc(C(=O)O)ccn2)c1.Cl.[Li+].[OH-].

What is the InChIKey of lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride?

The InChIKey is LBMLVCZUMBPWQD-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H26N6O.C16H15N3O2.C15H13N3O2.C8H13N3.ClH.Li.H2O/c2*1-14-4-5-21-18(8-14)11-27-29(21)13-19-10-17(6-7-25-19)23(30)26-12-20-15(2)9-22(24)28-16(20)3;1-11-3-4-15-13(7-11)9-18-19(15)10-14-8-12(5-6-17-14)16(20)21-2;1-10-2-3-14-12(6-10)8-17-18(14)9-13-7-11(15(19)20)4-5-16-13;1-5-3-8(10)11-6(2)7(5)4-9;;;/h2*4-11,18,21H,12-13H2,1-3H3,(H2,24,28)(H,26,30);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H;;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride?

lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride has a molecular weight of 1565.23 g/mol, XLogP of 8.87, 17 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 159526779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).