4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide

C18H23FN8O2 — CID 57378492

IUPAC4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)CCF)nc2c1
InChIInChI=1S/C18H23FN8O2/c1-5-24(2)17(29)13-11-20-26(4)15(13)16(28)21-12-6-8-27-14(10-12)22-18(23-27)25(3)9-7-19/h6,8,10-11H,5,7,9H2,1-4H3,(H,21,28)
InChIKeyGMYXNGYUFLVISF-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.21
Rot. Bonds7

About 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide

4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (PubChem CID 57378492) has the molecular formula C18H23FN8O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
PubChem CID57378492
Molecular FormulaC18H23FN8O2
Molecular Weight402.43 g/mol
Exact Mass402.19
IUPAC Name4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)CCF)nc2c1
InChIInChI=1S/C18H23FN8O2/c1-5-24(2)17(29)13-11-20-26(4)15(13)16(28)21-12-6-8-27-14(10-12)22-18(23-27)25(3)9-7-19/h6,8,10-11H,5,7,9H2,1-4H3,(H,21,28)
InChIKeyGMYXNGYUFLVISF-UHFFFAOYSA-N
XLogP1.21
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (CID 57378492) is 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)CCF)nc2c1.
What is the InChIKey of 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The InChIKey is GMYXNGYUFLVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN8O2/c1-5-24(2)17(29)13-11-20-26(4)15(13)16(28)21-12-6-8-27-14(10-12)22-18(23-27)25(3)9-7-19/h6,8,10-11H,5,7,9H2,1-4H3,(H,21,28).
What are the key properties of 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide has a molecular weight of 402.43 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 57378492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).