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

C20H24N8O2 — CID 71534745

IUPAC4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(N3CCCC3)nn2c1)C1CC1
InChIInChI=1S/C20H24N8O2/c1-25(14-6-7-14)19(30)15-11-21-26(2)17(15)18(29)22-13-5-8-16-23-20(24-28(16)12-13)27-9-3-4-10-27/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3,(H,22,29)
InChIKeyZNKUGSKFWIAHEV-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.55
Rot. Bonds5

About 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyrrolidin-1-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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide (PubChem CID 71534745) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyrrolidin-1-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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
PubChem CID71534745
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(N3CCCC3)nn2c1)C1CC1
InChIInChI=1S/C20H24N8O2/c1-25(14-6-7-14)19(30)15-11-21-26(2)17(15)18(29)22-13-5-8-16-23-20(24-28(16)12-13)27-9-3-4-10-27/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3,(H,22,29)
InChIKeyZNKUGSKFWIAHEV-UHFFFAOYSA-N
XLogP1.55
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyrrolidin-1-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-pyrrolidin-1-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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide (CID 71534745) is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyrrolidin-1-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-pyrrolidin-1-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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide is CN(C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(N3CCCC3)nn2c1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is ZNKUGSKFWIAHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-25(14-6-7-14)19(30)15-11-21-26(2)17(15)18(29)22-13-5-8-16-23-20(24-28(16)12-13)27-9-3-4-10-27/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3,(H,22,29).
What are the key properties of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyrrolidin-1-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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 408.47 g/mol, XLogP of 1.55, 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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 71534745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).