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

C24H21F3N4O3 — CID 67209610

IUPACN-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1
InChIInChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)
InChIKeyKSZRPNZKQXWNEQ-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.36
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 67209610) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID67209610
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1
InChIInChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)
InChIKeyKSZRPNZKQXWNEQ-UHFFFAOYSA-N
XLogP4.36
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 67209610) is N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is COc1ccc(CNC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is KSZRPNZKQXWNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 470.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 67209610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).