N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide

C24H19F4N5OS — CID 24734605

IUPACN-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C24H19F4N5OS/c25-16-2-1-3-17(12-16)30-23(34)33-9-7-32(8-10-33)22-18-4-5-20(24(26,27)28)31-21(18)19(13-29-22)15-6-11-35-14-15/h1-6,11-14H,7-10H2,(H,30,34)
InChIKeyFPYTYZVTLFALRP-UHFFFAOYSA-N
MW501.51 g/mol
LogP5.87
Rot. Bonds3

About N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide

N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide (PubChem CID 24734605) has the molecular formula C24H19F4N5OS and a molecular weight of 501.51 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide
PubChem CID24734605
Molecular FormulaC24H19F4N5OS
Molecular Weight501.51 g/mol
Exact Mass501.12
IUPAC NameN-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C24H19F4N5OS/c25-16-2-1-3-17(12-16)30-23(34)33-9-7-32(8-10-33)22-18-4-5-20(24(26,27)28)31-21(18)19(13-29-22)15-6-11-35-14-15/h1-6,11-14H,7-10H2,(H,30,34)
InChIKeyFPYTYZVTLFALRP-UHFFFAOYSA-N
XLogP5.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepane-1-carboxamide
CID 24734643
N-(3-methoxyphenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepane-1-carboxamide
CID 24734644
1-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 24734629
1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone
CID 24734599
5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734609
N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide
CID 24735957
(1,5-dimethylpyrazol-3-yl)-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methanone
CID 24734638
5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734722
(4-fluorophenyl)-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methanone
CID 24734771
1-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 24734768
[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 24734739
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanamine;hydrochloride
CID 24735951

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide (CID 24734605) is N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide?
The InChIKey is FPYTYZVTLFALRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5OS/c25-16-2-1-3-17(12-16)30-23(34)33-9-7-32(8-10-33)22-18-4-5-20(24(26,27)28)31-21(18)19(13-29-22)15-6-11-35-14-15/h1-6,11-14H,7-10H2,(H,30,34).
What are the key properties of N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide?
N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 24734605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).