N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

C23H23F3N6O2 — CID 67209756

IUPACN-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCCn1nccc1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1
InChIInChI=1S/C23H23F3N6O2/c1-4-32-17(10-11-27-32)14(2)28-18(33)13-34-19-12-16(23(24,25)26)20-21(15-8-6-5-7-9-15)30-31(3)22(20)29-19/h5-12,14H,4,13H2,1-3H3,(H,28,33)
InChIKeyGVMSUJSBSQRWGH-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.13
Rot. Bonds7

About N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 67209756) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID67209756
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCCn1nccc1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1
InChIInChI=1S/C23H23F3N6O2/c1-4-32-17(10-11-27-32)14(2)28-18(33)13-34-19-12-16(23(24,25)26)20-21(15-8-6-5-7-9-15)30-31(3)22(20)29-19/h5-12,14H,4,13H2,1-3H3,(H,28,33)
InChIKeyGVMSUJSBSQRWGH-UHFFFAOYSA-N
XLogP4.13
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 67209756) is N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is CCn1nccc1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is GVMSUJSBSQRWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-4-32-17(10-11-27-32)14(2)28-18(33)13-34-19-12-16(23(24,25)26)20-21(15-8-6-5-7-9-15)30-31(3)22(20)29-19/h5-12,14H,4,13H2,1-3H3,(H,28,33).
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 472.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 67209756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).