5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide

C22H22FN7O3 — CID 57378728

IUPAC5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccc(OCCF)c3)nc2c1
InChIInChI=1S/C22H22FN7O3/c1-28(2)22(32)17-13-24-29(3)19(17)21(31)25-15-7-9-30-18(12-15)26-20(27-30)14-5-4-6-16(11-14)33-10-8-23/h4-7,9,11-13H,8,10H2,1-3H3,(H,25,31)
InChIKeyWTBDQYOZBWYPMB-UHFFFAOYSA-N
MW451.46 g/mol
LogP2.43
Rot. Bonds7

About 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide

5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide (PubChem CID 57378728) has the molecular formula C22H22FN7O3 and a molecular weight of 451.46 g/mol. Its IUPAC name is 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
PubChem CID57378728
Molecular FormulaC22H22FN7O3
Molecular Weight451.46 g/mol
Exact Mass451.18
IUPAC Name5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccc(OCCF)c3)nc2c1
InChIInChI=1S/C22H22FN7O3/c1-28(2)22(32)17-13-24-29(3)19(17)21(31)25-15-7-9-30-18(12-15)26-20(27-30)14-5-4-6-16(11-14)33-10-8-23/h4-7,9,11-13H,8,10H2,1-3H3,(H,25,31)
InChIKeyWTBDQYOZBWYPMB-UHFFFAOYSA-N
XLogP2.43
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide (CID 57378728) is 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide is CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccc(OCCF)c3)nc2c1.
What is the InChIKey of 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The InChIKey is WTBDQYOZBWYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O3/c1-28(2)22(32)17-13-24-29(3)19(17)21(31)25-15-7-9-30-18(12-15)26-20(27-30)14-5-4-6-16(11-14)33-10-8-23/h4-7,9,11-13H,8,10H2,1-3H3,(H,25,31).
What are the key properties of 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide has a molecular weight of 451.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 57378728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).