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

C19H20ClFN6S — CID 166749918

IUPAC5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole
SMILESFC1CCN(c2ccc3ncc(Cl)c(-c4cnc(N5CCNCC5)s4)c3n2)C1
InChIInChI=1S/C19H20ClFN6S/c20-13-9-23-14-1-2-16(27-6-3-12(21)11-27)25-18(14)17(13)15-10-24-19(28-15)26-7-4-22-5-8-26/h1-2,9-10,12,22H,3-8,11H2
InChIKeyNUKRZDQHTQKPAO-UHFFFAOYSA-N
MW418.93 g/mol
LogP3.36
Rot. Bonds3

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

5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole (PubChem CID 166749918) has the molecular formula C19H20ClFN6S and a molecular weight of 418.93 g/mol. Its IUPAC name is 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole
PubChem CID166749918
Molecular FormulaC19H20ClFN6S
Molecular Weight418.93 g/mol
Exact Mass418.11
IUPAC Name5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole
SMILESFC1CCN(c2ccc3ncc(Cl)c(-c4cnc(N5CCNCC5)s4)c3n2)C1
InChIInChI=1S/C19H20ClFN6S/c20-13-9-23-14-1-2-16(27-6-3-12(21)11-27)25-18(14)17(13)15-10-24-19(28-15)26-7-4-22-5-8-26/h1-2,9-10,12,22H,3-8,11H2
InChIKeyNUKRZDQHTQKPAO-UHFFFAOYSA-N
XLogP3.36
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole (CID 166749918) is 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole is FC1CCN(c2ccc3ncc(Cl)c(-c4cnc(N5CCNCC5)s4)c3n2)C1.
What is the InChIKey of 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is NUKRZDQHTQKPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN6S/c20-13-9-23-14-1-2-16(27-6-3-12(21)11-27)25-18(14)17(13)15-10-24-19(28-15)26-7-4-22-5-8-26/h1-2,9-10,12,22H,3-8,11H2.
What are the key properties of 5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole?
5-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 418.93 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 166749918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).