N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H20N4O4S — CID 71727801

IUPACN-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1
InChIInChI=1S/C21H20N4O4S/c1-14(2)25-13-18(11-24-25)30(27,28)17-5-3-15(4-6-17)10-23-21(26)19-9-16-7-8-22-12-20(16)29-19/h3-9,11-14H,10H2,1-2H3,(H,23,26)
InChIKeyGCBARIQAGXVYET-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.37
Rot. Bonds6

About N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71727801) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71727801
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1
InChIInChI=1S/C21H20N4O4S/c1-14(2)25-13-18(11-24-25)30(27,28)17-5-3-15(4-6-17)10-23-21(26)19-9-16-7-8-22-12-20(16)29-19/h3-9,11-14H,10H2,1-2H3,(H,23,26)
InChIKeyGCBARIQAGXVYET-UHFFFAOYSA-N
XLogP3.37
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71727801) is N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1.
What is the InChIKey of N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GCBARIQAGXVYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-14(2)25-13-18(11-24-25)30(27,28)17-5-3-15(4-6-17)10-23-21(26)19-9-16-7-8-22-12-20(16)29-19/h3-9,11-14H,10H2,1-2H3,(H,23,26).
What are the key properties of N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71727801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).