N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane

C54H56Cl2N12O5 — CID 158154444

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane
SMILESC.C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c1C(=O)CC=C2.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c1C(=O)CC=C2
InChIInChI=1S/C26H23ClN6O2.C18H12ClN3O3.C8H13N3.2CH4/c1-14-8-23(28)31-15(2)19(14)12-30-26(35)25-24-21(4-3-5-22(24)34)33(32-25)13-16-6-7-20-17(9-16)10-18(27)11-29-20;19-12-7-11-6-10(4-5-13(11)20-8-12)9-22-14-2-1-3-15(23)16(14)17(21-22)18(24)25;1-5-3-8(10)11-6(2)7(5)4-9;;/h3-4,6-11H,5,12-13H2,1-2H3,(H2,28,31)(H,30,35);1-2,4-8H,3,9H2,(H,24,25);3H,4,9H2,1-2H3,(H2,10,11);2*1H4
InChIKeyFVMUTSMHTLXYOR-UHFFFAOYSA-N
MW1024.03 g/mol
LogP9.70
Rot. Bonds9

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane (PubChem CID 158154444) has the molecular formula C54H56Cl2N12O5 and a molecular weight of 1024.03 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane
PubChem CID158154444
Molecular FormulaC54H56Cl2N12O5
Molecular Weight1024.03 g/mol
Exact Mass1022.39
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane
SMILESC.C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c1C(=O)CC=C2.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c1C(=O)CC=C2
InChIInChI=1S/C26H23ClN6O2.C18H12ClN3O3.C8H13N3.2CH4/c1-14-8-23(28)31-15(2)19(14)12-30-26(35)25-24-21(4-3-5-22(24)34)33(32-25)13-16-6-7-20-17(9-16)10-18(27)11-29-20;19-12-7-11-6-10(4-5-13(11)20-8-12)9-22-14-2-1-3-15(23)16(14)17(21-22)18(24)25;1-5-3-8(10)11-6(2)7(5)4-9;;/h3-4,6-11H,5,12-13H2,1-2H3,(H2,28,31)(H,30,35);1-2,4-8H,3,9H2,(H,24,25);3H,4,9H2,1-2H3,(H2,10,11);2*1H4
InChIKeyFVMUTSMHTLXYOR-UHFFFAOYSA-N
XLogP9.70
TPSA265.80 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.03
LogP ≤ 59.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane (CID 158154444) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane is C.C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c1C(=O)CC=C2.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c1C(=O)CC=C2.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane?
The InChIKey is FVMUTSMHTLXYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O2.C18H12ClN3O3.C8H13N3.2CH4/c1-14-8-23(28)31-15(2)19(14)12-30-26(35)25-24-21(4-3-5-22(24)34)33(32-25)13-16-6-7-20-17(9-16)10-18(27)11-29-20;19-12-7-11-6-10(4-5-13(11)20-8-12)9-22-14-2-1-3-15(23)16(14)17(21-22)18(24)25;1-5-3-8(10)11-6(2)7(5)4-9;;/h3-4,6-11H,5,12-13H2,1-2H3,(H2,28,31)(H,30,35);1-2,4-8H,3,9H2,(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]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane has a molecular weight of 1024.03 g/mol, XLogP of 9.70, 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]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-indazole-3-carboxylic acid;methane is sourced from PubChem (CID 158154444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).