7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine

C20H17FN4OS — CID 21027377

IUPAC7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESCCc1cccc2c(-c3ccnc(S(C)=O)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C20H17FN4OS/c1-3-15-5-4-6-17-18(16-11-12-22-20(23-16)27(2)26)19(24-25(15)17)13-7-9-14(21)10-8-13/h4-12H,3H2,1-2H3
InChIKeyZCBWUPIIEBFGQB-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.90
Rot. Bonds4

About 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine

7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 21027377) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID21027377
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESCCc1cccc2c(-c3ccnc(S(C)=O)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C20H17FN4OS/c1-3-15-5-4-6-17-18(16-11-12-22-20(23-16)27(2)26)19(24-25(15)17)13-7-9-14(21)10-8-13/h4-12H,3H2,1-2H3
InChIKeyZCBWUPIIEBFGQB-UHFFFAOYSA-N
XLogP3.90
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
N-(4-propan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539364
Pyrazolo[1,5-b]pyridazine deriv. 23
CID 6539365
Pyrazolo[1,5-b]pyridazine deriv. 24
CID 6539366
Pyrazolo[1,5-b]pyridazine deriv. 28
CID 6539370
Pyrazolo[1,5-b]pyridazine deriv. 57
CID 6539399
Pyrazolo[1,5-b]pyridazine deriv. 58
CID 6539400
Pyrazolo[1,5-b]pyridazine deriv. 59
CID 6539401
Pyrazolo[1,5-b]pyridazine deriv. 60
CID 6539402

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine (CID 21027377) is 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine is CCc1cccc2c(-c3ccnc(S(C)=O)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is ZCBWUPIIEBFGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-3-15-5-4-6-17-18(16-11-12-22-20(23-16)27(2)26)19(24-25(15)17)13-7-9-14(21)10-8-13/h4-12H,3H2,1-2H3.
What are the key properties of 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 380.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 21027377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).