6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine

C54H74Br3N17O4 — CID 163826940

IUPAC6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine
SMILESCCN(CC)CC.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2nc(Br)c(C)n3nc(C4CCCN(c5cnn(C)c5)C4)nc23)c(OC)c1.Cc1c(Br)nc(Br)c2nc(C3CCCN(c4cnn(C)c4)C3)nn12
InChIInChI=1S/C24H29BrN8O2.C15H17Br2N7.C9H13NO2.C6H15N/c1-15-21(25)28-23(26-11-16-7-8-19(34-3)10-20(16)35-4)24-29-22(30-33(15)24)17-6-5-9-32(13-17)18-12-27-31(2)14-18;1-9-12(16)19-13(17)15-20-14(21-24(9)15)10-4-3-5-23(7-10)11-6-18-22(2)8-11;1-11-8-4-3-7(6-10)9(5-8)12-2;1-4-7(5-2)6-3/h7-8,10,12,14,17H,5-6,9,11,13H2,1-4H3,(H,26,28);6,8,10H,3-5,7H2,1-2H3;3-5H,6,10H2,1-2H3;4-6H2,1-3H3
InChIKeyOAHDKNCNLWAPEL-UHFFFAOYSA-N
MW1265.01 g/mol
LogP9.53
Rot. Bonds15

About 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine

6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine (PubChem CID 163826940) has the molecular formula C54H74Br3N17O4 and a molecular weight of 1265.01 g/mol. Its IUPAC name is 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine
PubChem CID163826940
Molecular FormulaC54H74Br3N17O4
Molecular Weight1265.01 g/mol
Exact Mass1261.37
IUPAC Name6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine
SMILESCCN(CC)CC.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2nc(Br)c(C)n3nc(C4CCCN(c5cnn(C)c5)C4)nc23)c(OC)c1.Cc1c(Br)nc(Br)c2nc(C3CCCN(c4cnn(C)c4)C3)nn12
InChIInChI=1S/C24H29BrN8O2.C15H17Br2N7.C9H13NO2.C6H15N/c1-15-21(25)28-23(26-11-16-7-8-19(34-3)10-20(16)35-4)24-29-22(30-33(15)24)17-6-5-9-32(13-17)18-12-27-31(2)14-18;1-9-12(16)19-13(17)15-20-14(21-24(9)15)10-4-3-5-23(7-10)11-6-18-22(2)8-11;1-11-8-4-3-7(6-10)9(5-8)12-2;1-4-7(5-2)6-3/h7-8,10,12,14,17H,5-6,9,11,13H2,1-4H3,(H,26,28);6,8,10H,3-5,7H2,1-2H3;3-5H,6,10H2,1-2H3;4-6H2,1-3H3
InChIKeyOAHDKNCNLWAPEL-UHFFFAOYSA-N
XLogP9.53
TPSA206.49 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.01
LogP ≤ 59.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine with MolForge

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Related Compounds

US9725449, Example 187
CID 122686341
9-(2,4-Dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7-[2-(morpholin-4-yl)ethyl]-7,9-dihydro-8H-purin-8-one
CID 66634890
9-(2,4-Dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-8H-purin-8-one
CID 66635085
N4-(2,4-Dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5-diamine
CID 66635320
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(1-ethylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-(3-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 153593550
N-[(2,4-dimethoxyphenyl)methyl]-2-[(3R,6S)-1-(1-ethylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-(3-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 153593600
6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 156902759
5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
CID 157823492
6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 160643350
N-[(2,4-dimethoxyphenyl)methyl]-2-[(3S,6R)-1-(1-ethylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-(3-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 162502955
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359153
N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide
CID 170416143

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine (CID 163826940) is 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine is CCN(CC)CC.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2nc(Br)c(C)n3nc(C4CCCN(c5cnn(C)c5)C4)nc23)c(OC)c1.Cc1c(Br)nc(Br)c2nc(C3CCCN(c4cnn(C)c4)C3)nn12.
What is the InChIKey of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine?
The InChIKey is OAHDKNCNLWAPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN8O2.C15H17Br2N7.C9H13NO2.C6H15N/c1-15-21(25)28-23(26-11-16-7-8-19(34-3)10-20(16)35-4)24-29-22(30-33(15)24)17-6-5-9-32(13-17)18-12-27-31(2)14-18;1-9-12(16)19-13(17)15-20-14(21-24(9)15)10-4-3-5-23(7-10)11-6-18-22(2)8-11;1-11-8-4-3-7(6-10)9(5-8)12-2;1-4-7(5-2)6-3/h7-8,10,12,14,17H,5-6,9,11,13H2,1-4H3,(H,26,28);6,8,10H,3-5,7H2,1-2H3;3-5H,6,10H2,1-2H3;4-6H2,1-3H3.
What are the key properties of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine?
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine has a molecular weight of 1265.01 g/mol, XLogP of 9.53, 15 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 163826940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).