1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide

C24H26N8O3 — CID 165415445

IUPAC1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C24H26N8O3/c1-29(2)23(34)19-15-25-32(16-17-6-4-3-5-7-17)21(19)22(33)26-18-8-9-31-20(14-18)27-24(28-31)30-10-12-35-13-11-30/h3-9,14-15H,10-13,16H2,1-2H3,(H,26,33)
InChIKeyOOFKVMTZEYDQHS-UHFFFAOYSA-N
MW474.53 g/mol
LogP1.76
Rot. Bonds6

About 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide

1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 165415445) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID165415445
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C24H26N8O3/c1-29(2)23(34)19-15-25-32(16-17-6-4-3-5-7-17)21(19)22(33)26-18-8-9-31-20(14-18)27-24(28-31)30-10-12-35-13-11-30/h3-9,14-15H,10-13,16H2,1-2H3,(H,26,33)
InChIKeyOOFKVMTZEYDQHS-UHFFFAOYSA-N
XLogP1.76
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (CID 165415445) is 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is CN(C)C(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is OOFKVMTZEYDQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-29(2)23(34)19-15-25-32(16-17-6-4-3-5-7-17)21(19)22(33)26-18-8-9-31-20(14-18)27-24(28-31)30-10-12-35-13-11-30/h3-9,14-15H,10-13,16H2,1-2H3,(H,26,33).
What are the key properties of 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 474.53 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-N,4-N-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165415445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).