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

C20H26N8O3 — CID 57377851

IUPAC4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C20H26N8O3/c1-4-26(5-2)19(30)15-13-21-25(3)17(15)18(29)22-14-6-7-28-16(12-14)23-20(24-28)27-8-10-31-11-9-27/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,22,29)
InChIKeyJMGSTKYSWXXUFN-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.03
Rot. Bonds6

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

4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 57377851) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID57377851
Molecular FormulaC20H26N8O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC Name4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C20H26N8O3/c1-4-26(5-2)19(30)15-13-21-25(3)17(15)18(29)22-14-6-7-28-16(12-14)23-20(24-28)27-8-10-31-11-9-27/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,22,29)
InChIKeyJMGSTKYSWXXUFN-UHFFFAOYSA-N
XLogP1.03
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (CID 57377851) is 4-N,4-N-diethyl-1-methyl-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 4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is CCN(CC)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is JMGSTKYSWXXUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3/c1-4-26(5-2)19(30)15-13-21-25(3)17(15)18(29)22-14-6-7-28-16(12-14)23-20(24-28)27-8-10-31-11-9-27/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,22,29).
What are the key properties of 4-N,4-N-diethyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
4-N,4-N-diethyl-1-methyl-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 426.48 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-methyl-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 57377851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).