3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine

C16H13FN4O4S — CID 154873161

IUPAC3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C16H13FN4O4S/c17-26(23,24)25-15-7-13(9-18-10-15)20-16(22)6-12-8-19-21(11-12)14-4-2-1-3-5-14/h1-5,7-11H,6H2,(H,20,22)
InChIKeyKRFCHXBRBXJUDZ-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.04
Rot. Bonds6

About 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine

3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine (PubChem CID 154873161) has the molecular formula C16H13FN4O4S and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine.

Molecular Properties

Compound Name3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine
PubChem CID154873161
Molecular FormulaC16H13FN4O4S
Molecular Weight376.37 g/mol
Exact Mass376.06
IUPAC Name3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C16H13FN4O4S/c17-26(23,24)25-15-7-13(9-18-10-15)20-16(22)6-12-8-19-21(11-12)14-4-2-1-3-5-14/h1-5,7-11H,6H2,(H,20,22)
InChIKeyKRFCHXBRBXJUDZ-UHFFFAOYSA-N
XLogP2.04
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38359488
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621443
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46666185
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 56582430
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152085
N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105

Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine?
The IUPAC name of 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine (CID 154873161) is 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine.
What is the SMILES notation for 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine?
The canonical SMILES for 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine is O=C(Cc1cnn(-c2ccccc2)c1)Nc1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine?
The InChIKey is KRFCHXBRBXJUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4S/c17-26(23,24)25-15-7-13(9-18-10-15)20-16(22)6-12-8-19-21(11-12)14-4-2-1-3-5-14/h1-5,7-11H,6H2,(H,20,22).
What are the key properties of 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine?
3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine has a molecular weight of 376.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine is sourced from PubChem (CID 154873161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).