N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C20H18F3N7O3 — CID 90118603

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1nc(CNC(=O)c2nccc3nn(Cc4cnc(OCC(F)(F)F)c(C)c4)cc23)no1
InChIInChI=1S/C20H18F3N7O3/c1-11-5-13(6-26-19(11)32-10-20(21,22)23)8-30-9-14-15(28-30)3-4-24-17(14)18(31)25-7-16-27-12(2)33-29-16/h3-6,9H,7-8,10H2,1-2H3,(H,25,31)
InChIKeyQNXYLXCBSUJUIW-UHFFFAOYSA-N
MW461.40 g/mol
LogP2.75
Rot. Bonds7

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118603) has the molecular formula C20H18F3N7O3 and a molecular weight of 461.40 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118603
Molecular FormulaC20H18F3N7O3
Molecular Weight461.40 g/mol
Exact Mass461.14
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1nc(CNC(=O)c2nccc3nn(Cc4cnc(OCC(F)(F)F)c(C)c4)cc23)no1
InChIInChI=1S/C20H18F3N7O3/c1-11-5-13(6-26-19(11)32-10-20(21,22)23)8-30-9-14-15(28-30)3-4-24-17(14)18(31)25-7-16-27-12(2)33-29-16/h3-6,9H,7-8,10H2,1-2H3,(H,25,31)
InChIKeyQNXYLXCBSUJUIW-UHFFFAOYSA-N
XLogP2.75
TPSA120.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118603) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1nc(CNC(=O)c2nccc3nn(Cc4cnc(OCC(F)(F)F)c(C)c4)cc23)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is QNXYLXCBSUJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O3/c1-11-5-13(6-26-19(11)32-10-20(21,22)23)8-30-9-14-15(28-30)3-4-24-17(14)18(31)25-7-16-27-12(2)33-29-16/h3-6,9H,7-8,10H2,1-2H3,(H,25,31).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 461.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).