N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C20H14F3N5O4S — CID 71728173

IUPACN-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C20H14F3N5O4S/c21-20(22,23)32-15-2-1-3-16(7-15)33(30,31)17-5-4-14(24-11-17)10-26-19(29)13-6-12-9-27-28-18(12)25-8-13/h1-9,11H,10H2,(H,26,29)(H,25,27,28)
InChIKeyLQUDNHDFESTRSO-UHFFFAOYSA-N
MW477.42 g/mol
LogP3.01
Rot. Bonds6

About N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 71728173) has the molecular formula C20H14F3N5O4S and a molecular weight of 477.42 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID71728173
Molecular FormulaC20H14F3N5O4S
Molecular Weight477.42 g/mol
Exact Mass477.07
IUPAC NameN-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C20H14F3N5O4S/c21-20(22,23)32-15-2-1-3-16(7-15)33(30,31)17-5-4-14(24-11-17)10-26-19(29)13-6-12-9-27-28-18(12)25-8-13/h1-9,11H,10H2,(H,26,29)(H,25,27,28)
InChIKeyLQUDNHDFESTRSO-UHFFFAOYSA-N
XLogP3.01
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 71728173) is N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1)c1cnc2[nH]ncc2c1.
What is the InChIKey of N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is LQUDNHDFESTRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O4S/c21-20(22,23)32-15-2-1-3-16(7-15)33(30,31)17-5-4-14(24-11-17)10-26-19(29)13-6-12-9-27-28-18(12)25-8-13/h1-9,11H,10H2,(H,26,29)(H,25,27,28).
What are the key properties of N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 477.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71728173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).