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

C20H19N7O2 — CID 57377301

IUPAC4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCNC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H19N7O2/c1-3-21-19(28)15-12-22-26(2)17(15)20(29)23-14-9-10-27-16(11-14)24-18(25-27)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,21,28)(H,23,29)
InChIKeyQMSYRGYQJKMMIC-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.13
Rot. Bonds5

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

4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 57377301) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID57377301
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCNC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H19N7O2/c1-3-21-19(28)15-12-22-26(2)17(15)20(29)23-14-9-10-27-16(11-14)24-18(25-27)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,21,28)(H,23,29)
InChIKeyQMSYRGYQJKMMIC-UHFFFAOYSA-N
XLogP2.13
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (CID 57377301) is 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is CCNC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is QMSYRGYQJKMMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-3-21-19(28)15-12-22-26(2)17(15)20(29)23-14-9-10-27-16(11-14)24-18(25-27)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,21,28)(H,23,29).
What are the key properties of 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 57377301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).