4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide

C21H20N8O2 — CID 71538143

IUPAC4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1)C1CC1
InChIInChI=1S/C21H20N8O2/c1-27(15-6-7-15)21(31)16-11-23-28(2)18(16)20(30)24-14-5-8-17-25-19(26-29(17)12-14)13-4-3-9-22-10-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,30)
InChIKeyWIGHFWAFKIALDE-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.01
Rot. Bonds5

About 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide

4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide (PubChem CID 71538143) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
PubChem CID71538143
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1)C1CC1
InChIInChI=1S/C21H20N8O2/c1-27(15-6-7-15)21(31)16-11-23-28(2)18(16)20(30)24-14-5-8-17-25-19(26-29(17)12-14)13-4-3-9-22-10-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,30)
InChIKeyWIGHFWAFKIALDE-UHFFFAOYSA-N
XLogP2.01
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide (CID 71538143) is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide is CN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is WIGHFWAFKIALDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-27(15-6-7-15)21(31)16-11-23-28(2)18(16)20(30)24-14-5-8-17-25-19(26-29(17)12-14)13-4-3-9-22-10-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,30).
What are the key properties of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide?
4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 71538143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).