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

C20H21ClFN5S — CID 166749937

IUPAC5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole
SMILESFC1CCN(c2ccc3ncc(Cl)c(-c4cnc(C5CCNCC5)s4)c3n2)C1
InChIInChI=1S/C20H21ClFN5S/c21-14-9-24-15-1-2-17(27-8-5-13(22)11-27)26-19(15)18(14)16-10-25-20(28-16)12-3-6-23-7-4-12/h1-2,9-10,12-13,23H,3-8,11H2
InChIKeyLSFFWBRGCLYOAS-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.42
Rot. Bonds3

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

5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole (PubChem CID 166749937) has the molecular formula C20H21ClFN5S and a molecular weight of 417.94 g/mol. Its IUPAC name is 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole
PubChem CID166749937
Molecular FormulaC20H21ClFN5S
Molecular Weight417.94 g/mol
Exact Mass417.12
IUPAC Name5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole
SMILESFC1CCN(c2ccc3ncc(Cl)c(-c4cnc(C5CCNCC5)s4)c3n2)C1
InChIInChI=1S/C20H21ClFN5S/c21-14-9-24-15-1-2-17(27-8-5-13(22)11-27)26-19(15)18(14)16-10-25-20(28-16)12-3-6-23-7-4-12/h1-2,9-10,12-13,23H,3-8,11H2
InChIKeyLSFFWBRGCLYOAS-UHFFFAOYSA-N
XLogP4.42
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole (CID 166749937) is 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole is FC1CCN(c2ccc3ncc(Cl)c(-c4cnc(C5CCNCC5)s4)c3n2)C1.
What is the InChIKey of 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is LSFFWBRGCLYOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5S/c21-14-9-24-15-1-2-17(27-8-5-13(22)11-27)26-19(15)18(14)16-10-25-20(28-16)12-3-6-23-7-4-12/h1-2,9-10,12-13,23H,3-8,11H2.
What are the key properties of 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole?
5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 417.94 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 166749937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).