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

C20H24N8O3 — CID 57378068

IUPAC4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1)C1CC1
InChIInChI=1S/C20H24N8O3/c1-25(14-3-4-14)19(30)15-12-21-26(2)17(15)18(29)22-13-5-6-28-16(11-13)23-20(24-28)27-7-9-31-10-8-27/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,22,29)
InChIKeyODWFECIITGJYMQ-UHFFFAOYSA-N
MW424.47 g/mol
LogP0.79
Rot. Bonds5

About 4-N-cyclopropyl-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-cyclopropyl-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 57378068) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-N-cyclopropyl-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-cyclopropyl-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 CID57378068
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1)C1CC1
InChIInChI=1S/C20H24N8O3/c1-25(14-3-4-14)19(30)15-12-21-26(2)17(15)18(29)22-13-5-6-28-16(11-13)23-20(24-28)27-7-9-31-10-8-27/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,22,29)
InChIKeyODWFECIITGJYMQ-UHFFFAOYSA-N
XLogP0.79
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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 57378068) is 4-N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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 CN(C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-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 ODWFECIITGJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c1-25(14-3-4-14)19(30)15-12-21-26(2)17(15)18(29)22-13-5-6-28-16(11-13)23-20(24-28)27-7-9-31-10-8-27/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,22,29).
What are the key properties of 4-N-cyclopropyl-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-cyclopropyl-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 424.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-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 57378068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).