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

C22H21N7O2 — CID 71537868

IUPAC4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3ccccc3)nn2c1)C1CC1
InChIInChI=1S/C22H21N7O2/c1-27(16-9-10-16)22(31)17-12-23-28(2)19(17)21(30)24-15-8-11-18-25-20(26-29(18)13-15)14-6-4-3-5-7-14/h3-8,11-13,16H,9-10H2,1-2H3,(H,24,30)
InChIKeyQPJNJXCVIYFXFR-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.62
Rot. Bonds5

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

4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide (PubChem CID 71537868) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[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-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
PubChem CID71537868
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3ccccc3)nn2c1)C1CC1
InChIInChI=1S/C22H21N7O2/c1-27(16-9-10-16)22(31)17-12-23-28(2)19(17)21(30)24-15-8-11-18-25-20(26-29(18)13-15)14-6-4-3-5-7-14/h3-8,11-13,16H,9-10H2,1-2H3,(H,24,30)
InChIKeyQPJNJXCVIYFXFR-UHFFFAOYSA-N
XLogP2.62
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[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-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide (CID 71537868) is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[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-phenyl-[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-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide is CN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3ccccc3)nn2c1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is QPJNJXCVIYFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-27(16-9-10-16)22(31)17-12-23-28(2)19(17)21(30)24-15-8-11-18-25-20(26-29(18)13-15)14-6-4-3-5-7-14/h3-8,11-13,16H,9-10H2,1-2H3,(H,24,30).
What are the key properties of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide?
4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 71537868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).