5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

C21H23FN4O — CID 157196213

IUPAC5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2ccc(-c3cnc(CC4(C)CC4)cc3F)n2)ccc1=O
InChIInChI=1S/C21H23FN4O/c1-3-9-25-14-16(4-5-20(25)27)26-10-6-19(24-26)17-13-23-15(11-18(17)22)12-21(2)7-8-21/h4-6,10-11,13-14H,3,7-9,12H2,1-2H3
InChIKeyDLEVYTKSAFJANC-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.99
Rot. Bonds6

About 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 157196213) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID157196213
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2ccc(-c3cnc(CC4(C)CC4)cc3F)n2)ccc1=O
InChIInChI=1S/C21H23FN4O/c1-3-9-25-14-16(4-5-20(25)27)26-10-6-19(24-26)17-13-23-15(11-18(17)22)12-21(2)7-8-21/h4-6,10-11,13-14H,3,7-9,12H2,1-2H3
InChIKeyDLEVYTKSAFJANC-UHFFFAOYSA-N
XLogP3.99
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 157196213) is 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2ccc(-c3cnc(CC4(C)CC4)cc3F)n2)ccc1=O.
What is the InChIKey of 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is DLEVYTKSAFJANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-3-9-25-14-16(4-5-20(25)27)26-10-6-19(24-26)17-13-23-15(11-18(17)22)12-21(2)7-8-21/h4-6,10-11,13-14H,3,7-9,12H2,1-2H3.
What are the key properties of 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 366.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 157196213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).