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

C23H21F3N4O3 — CID 67209507

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)o1
InChIInChI=1S/C23H21F3N4O3/c1-13-9-10-17(33-13)14(2)27-18(31)12-32-19-11-16(23(24,25)26)20-21(15-7-5-4-6-8-15)29-30(3)22(20)28-19/h4-11,14H,12H2,1-3H3,(H,27,31)
InChIKeyBPBGEHSQDRGASZ-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.81
Rot. Bonds6

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

N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 67209507) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID67209507
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)o1
InChIInChI=1S/C23H21F3N4O3/c1-13-9-10-17(33-13)14(2)27-18(31)12-32-19-11-16(23(24,25)26)20-21(15-7-5-4-6-8-15)29-30(3)22(20)28-19/h4-11,14H,12H2,1-3H3,(H,27,31)
InChIKeyBPBGEHSQDRGASZ-UHFFFAOYSA-N
XLogP4.81
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 67209507) is N-[1-(5-methylfuran-2-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-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is BPBGEHSQDRGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-13-9-10-17(33-13)14(2)27-18(31)12-32-19-11-16(23(24,25)26)20-21(15-7-5-4-6-8-15)29-30(3)22(20)28-19/h4-11,14H,12H2,1-3H3,(H,27,31).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 458.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 67209507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).