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

C19H21F3N8O3 — CID 57378176

IUPAC4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H21F3N8O3/c1-27(11-19(20,21)22)17(32)13-10-23-28(2)15(13)16(31)24-12-3-4-30-14(9-12)25-18(26-30)29-5-7-33-8-6-29/h3-4,9-10H,5-8,11H2,1-2H3,(H,24,31)
InChIKeyIARCCDFCBSYPJC-UHFFFAOYSA-N
MW466.42 g/mol
LogP1.19
Rot. Bonds5

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

4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide (PubChem CID 57378176) has the molecular formula C19H21F3N8O3 and a molecular weight of 466.42 g/mol. Its IUPAC name is 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide
PubChem CID57378176
Molecular FormulaC19H21F3N8O3
Molecular Weight466.42 g/mol
Exact Mass466.17
IUPAC Name4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H21F3N8O3/c1-27(11-19(20,21)22)17(32)13-10-23-28(2)15(13)16(31)24-12-3-4-30-14(9-12)25-18(26-30)29-5-7-33-8-6-29/h3-4,9-10H,5-8,11H2,1-2H3,(H,24,31)
InChIKeyIARCCDFCBSYPJC-UHFFFAOYSA-N
XLogP1.19
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide (CID 57378176) is 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide is CN(CC(F)(F)F)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide?
The InChIKey is IARCCDFCBSYPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8O3/c1-27(11-19(20,21)22)17(32)13-10-23-28(2)15(13)16(31)24-12-3-4-30-14(9-12)25-18(26-30)29-5-7-33-8-6-29/h3-4,9-10H,5-8,11H2,1-2H3,(H,24,31).
What are the key properties of 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide?
4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide has a molecular weight of 466.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 57378176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).