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

C18H22N8O3 — CID 57377852

IUPAC4-N,4-N,1-trimethyl-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(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C18H22N8O3/c1-23(2)17(28)13-11-19-24(3)15(13)16(27)20-12-4-5-26-14(10-12)21-18(22-26)25-6-8-29-9-7-25/h4-5,10-11H,6-9H2,1-3H3,(H,20,27)
InChIKeyVATHSDBCJUAYHN-UHFFFAOYSA-N
MW398.43 g/mol
LogP0.25
Rot. Bonds4

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

4-N,4-N,1-trimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 57377852) has the molecular formula C18H22N8O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-N,4-N,1-trimethyl-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,1-trimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID57377852
Molecular FormulaC18H22N8O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name4-N,4-N,1-trimethyl-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(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C18H22N8O3/c1-23(2)17(28)13-11-19-24(3)15(13)16(27)20-12-4-5-26-14(10-12)21-18(22-26)25-6-8-29-9-7-25/h4-5,10-11H,6-9H2,1-3H3,(H,20,27)
InChIKeyVATHSDBCJUAYHN-UHFFFAOYSA-N
XLogP0.25
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N,4-N,1-trimethyl-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,1-trimethyl-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,1-trimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (CID 57377852) is 4-N,4-N,1-trimethyl-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,1-trimethyl-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,1-trimethyl-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(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-N,4-N,1-trimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is VATHSDBCJUAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O3/c1-23(2)17(28)13-11-19-24(3)15(13)16(27)20-12-4-5-26-14(10-12)21-18(22-26)25-6-8-29-9-7-25/h4-5,10-11H,6-9H2,1-3H3,(H,20,27).
What are the key properties of 4-N,4-N,1-trimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
4-N,4-N,1-trimethyl-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 398.43 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,1-trimethyl-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 57377852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).