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

C22H25FN4O — CID 158353228

IUPAC5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3cnc(CC4CCCC4)cc3F)cn2)ccc1=O
InChIInChI=1S/C22H25FN4O/c1-2-9-26-15-19(7-8-22(26)28)27-14-17(12-25-27)20-13-24-18(11-21(20)23)10-16-5-3-4-6-16/h7-8,11-16H,2-6,9-10H2,1H3
InChIKeyXEERZHDKABSKQE-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.38
Rot. Bonds6

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

5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 158353228) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID158353228
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3cnc(CC4CCCC4)cc3F)cn2)ccc1=O
InChIInChI=1S/C22H25FN4O/c1-2-9-26-15-19(7-8-22(26)28)27-14-17(12-25-27)20-13-24-18(11-21(20)23)10-16-5-3-4-6-16/h7-8,11-16H,2-6,9-10H2,1H3
InChIKeyXEERZHDKABSKQE-UHFFFAOYSA-N
XLogP4.38
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 158353228) is 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3cnc(CC4CCCC4)cc3F)cn2)ccc1=O.
What is the InChIKey of 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is XEERZHDKABSKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-2-9-26-15-19(7-8-22(26)28)27-14-17(12-25-27)20-13-24-18(11-21(20)23)10-16-5-3-4-6-16/h7-8,11-16H,2-6,9-10H2,1H3.
What are the key properties of 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 380.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 158353228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).