4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen

C23H25N7O5S — CID 153339227

IUPAC4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen
SMILESCOc1cccc(OC)c1-n1c(C(=O)NS(=O)(=O)Cc2ncc(C)cn2)nnc1-c1ccc(C)cn1.[H][H]
InChIInChI=1S/C23H23N7O5S.H2/c1-14-8-9-16(24-10-14)21-27-28-22(30(21)20-17(34-3)6-5-7-18(20)35-4)23(31)29-36(32,33)13-19-25-11-15(2)12-26-19;/h5-12H,13H2,1-4H3,(H,29,31);1H
InChIKeyKOUZWBFWJDACJJ-UHFFFAOYSA-N
MW511.56 g/mol
LogP2.26
Rot. Bonds8

About 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen

4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen (PubChem CID 153339227) has the molecular formula C23H25N7O5S and a molecular weight of 511.56 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen
PubChem CID153339227
Molecular FormulaC23H25N7O5S
Molecular Weight511.56 g/mol
Exact Mass511.16
IUPAC Name4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen
SMILESCOc1cccc(OC)c1-n1c(C(=O)NS(=O)(=O)Cc2ncc(C)cn2)nnc1-c1ccc(C)cn1.[H][H]
InChIInChI=1S/C23H23N7O5S.H2/c1-14-8-9-16(24-10-14)21-27-28-22(30(21)20-17(34-3)6-5-7-18(20)35-4)23(31)29-36(32,33)13-19-25-11-15(2)12-26-19;/h5-12H,13H2,1-4H3,(H,29,31);1H
InChIKeyKOUZWBFWJDACJJ-UHFFFAOYSA-N
XLogP2.26
TPSA151.08 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.56
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen (CID 153339227) is 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen is COc1cccc(OC)c1-n1c(C(=O)NS(=O)(=O)Cc2ncc(C)cn2)nnc1-c1ccc(C)cn1.[H][H].
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen?
The InChIKey is KOUZWBFWJDACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O5S.H2/c1-14-8-9-16(24-10-14)21-27-28-22(30(21)20-17(34-3)6-5-7-18(20)35-4)23(31)29-36(32,33)13-19-25-11-15(2)12-26-19;/h5-12H,13H2,1-4H3,(H,29,31);1H.
What are the key properties of 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen?
4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen has a molecular weight of 511.56 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,2,4-triazole-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 153339227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).