1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one

C20H23FN6O — CID 166750003

IUPAC1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one
SMILESO=c1n(-c2ccnc3ccc(N4CCC(F)C4)nc23)ccn1C1CCNCC1
InChIInChI=1S/C20H23FN6O/c21-14-6-10-25(13-14)18-2-1-16-19(24-18)17(5-9-23-16)27-12-11-26(20(27)28)15-3-7-22-8-4-15/h1-2,5,9,11-12,14-15,22H,3-4,6-8,10,13H2
InChIKeyFWRWHVCHUHCMTM-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.05
Rot. Bonds3

About 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one

1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one (PubChem CID 166750003) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one.

Molecular Properties

Compound Name1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one
PubChem CID166750003
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one
SMILESO=c1n(-c2ccnc3ccc(N4CCC(F)C4)nc23)ccn1C1CCNCC1
InChIInChI=1S/C20H23FN6O/c21-14-6-10-25(13-14)18-2-1-16-19(24-18)17(5-9-23-16)27-12-11-26(20(27)28)15-3-7-22-8-4-15/h1-2,5,9,11-12,14-15,22H,3-4,6-8,10,13H2
InChIKeyFWRWHVCHUHCMTM-UHFFFAOYSA-N
XLogP2.05
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one?
The IUPAC name of 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one (CID 166750003) is 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one.
What is the SMILES notation for 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one?
The canonical SMILES for 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one is O=c1n(-c2ccnc3ccc(N4CCC(F)C4)nc23)ccn1C1CCNCC1.
What is the InChIKey of 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one?
The InChIKey is FWRWHVCHUHCMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-14-6-10-25(13-14)18-2-1-16-19(24-18)17(5-9-23-16)27-12-11-26(20(27)28)15-3-7-22-8-4-15/h1-2,5,9,11-12,14-15,22H,3-4,6-8,10,13H2.
What are the key properties of 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one?
1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one has a molecular weight of 382.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-piperidin-4-ylimidazol-2-one is sourced from PubChem (CID 166750003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).