4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide

C24H27N7O4 — CID 90401627

IUPAC4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
SMILESCOCCN(CCOC)C(=O)c1cn[nH]c1C(=O)N(C)c1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C24H27N7O4/c1-29(18-9-10-31-20(15-18)26-22(28-31)17-7-5-4-6-8-17)24(33)21-19(16-25-27-21)23(32)30(11-13-34-2)12-14-35-3/h4-10,15-16H,11-14H2,1-3H3,(H,25,27)
InChIKeyZHSIAPQKBBLXIU-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.13
Rot. Bonds10

About 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide

4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide (PubChem CID 90401627) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
PubChem CID90401627
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
SMILESCOCCN(CCOC)C(=O)c1cn[nH]c1C(=O)N(C)c1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C24H27N7O4/c1-29(18-9-10-31-20(15-18)26-22(28-31)17-7-5-4-6-8-17)24(33)21-19(16-25-27-21)23(32)30(11-13-34-2)12-14-35-3/h4-10,15-16H,11-14H2,1-3H3,(H,25,27)
InChIKeyZHSIAPQKBBLXIU-UHFFFAOYSA-N
XLogP2.13
TPSA117.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide with MolForge

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Related Compounds

N,N-bis(2-methoxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 86912287
N,N-bis(2-methoxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535167
formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide
CID 67775506
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 57378953
N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide
CID 63286734
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 43409768
2-chloro-6-(methylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
CID 165414921
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(3-methoxypyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 144691472
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid
CID 119182829
N-(2-methoxyethyl)-1,3-dimethyl-N-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32954817

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide (CID 90401627) is 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide is COCCN(CCOC)C(=O)c1cn[nH]c1C(=O)N(C)c1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide?
The InChIKey is ZHSIAPQKBBLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-29(18-9-10-31-20(15-18)26-22(28-31)17-7-5-4-6-8-17)24(33)21-19(16-25-27-21)23(32)30(11-13-34-2)12-14-35-3/h4-10,15-16H,11-14H2,1-3H3,(H,25,27).
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide?
4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide has a molecular weight of 477.53 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methoxyethyl)-5-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 90401627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).