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

C19H24N8O3 — CID 57377853

IUPAC4-N-ethyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H24N8O3/c1-4-24(2)18(29)14-12-20-25(3)16(14)17(28)21-13-5-6-27-15(11-13)22-19(23-27)26-7-9-30-10-8-26/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,28)
InChIKeyNOGOPEXLNMJIPN-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.64
Rot. Bonds5

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

4-N-ethyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 57377853) has the molecular formula C19H24N8O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-N-ethyl-4-N,1-dimethyl-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-ethyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID57377853
Molecular FormulaC19H24N8O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC Name4-N-ethyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H24N8O3/c1-4-24(2)18(29)14-12-20-25(3)16(14)17(28)21-13-5-6-27-15(11-13)22-19(23-27)26-7-9-30-10-8-26/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,28)
InChIKeyNOGOPEXLNMJIPN-UHFFFAOYSA-N
XLogP0.64
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N-ethyl-4-N,1-dimethyl-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-ethyl-4-N,1-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 4-N-ethyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (CID 57377853) is 4-N-ethyl-4-N,1-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 4-N-ethyl-4-N,1-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 4-N-ethyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-N-ethyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is NOGOPEXLNMJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O3/c1-4-24(2)18(29)14-12-20-25(3)16(14)17(28)21-13-5-6-27-15(11-13)22-19(23-27)26-7-9-30-10-8-26/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,28).
What are the key properties of 4-N-ethyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-ethyl-4-N,1-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 412.45 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N,1-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 57377853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).