furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone

C22H17F3N4O2S — CID 24734601

IUPACfuran-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C22H17F3N4O2S/c23-22(24,25)18-4-3-15-19(27-18)16(14-5-11-32-13-14)12-26-20(15)28-6-8-29(9-7-28)21(30)17-2-1-10-31-17/h1-5,10-13H,6-9H2
InChIKeyYCDFLBNCJBUAIH-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.93
Rot. Bonds3

About furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone (PubChem CID 24734601) has the molecular formula C22H17F3N4O2S and a molecular weight of 458.47 g/mol. Its IUPAC name is furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone
PubChem CID24734601
Molecular FormulaC22H17F3N4O2S
Molecular Weight458.47 g/mol
Exact Mass458.10
IUPAC Namefuran-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C22H17F3N4O2S/c23-22(24,25)18-4-3-15-19(27-18)16(14-5-11-32-13-14)12-26-20(15)28-6-8-29(9-7-28)21(30)17-2-1-10-31-17/h1-5,10-13H,6-9H2
InChIKeyYCDFLBNCJBUAIH-UHFFFAOYSA-N
XLogP4.93
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Furan-2-carboxylic acid {4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
CID 89596378
4-[4-(2-Furoyl)-1-piperazinyl]-5-phenylthieno[2,3-d]pyrimidine
CID 985331
(4-(5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)(furan-2-yl)methanone
CID 1164757
N-{4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thien-2-yl}-2-furamide
CID 1187950
1-(Furan-2-carbonyl)-4-{6-phenylthieno[2,3-d]pyrimidin-4-yl}piperazine
CID 1277428
Furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 25474131
US10030016, Example 3.28
CID 68160403
1-[5-[6-[4-(Furan-2-carbonyl)piperazin-1-yl]pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 172434565
Furan-2-yl-[4-(5-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]methanone
CID 172436017
Furan-2-yl-[4-(6-thiophen-3-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 172438416
N-(4,5-dimethyl-3-((4-(pyridin-2-yl)piperazin-1-yl)(pyridin-3-yl)methyl)thiophen-2-yl)furan-2-carboxamide
CID 5068380
N-[[(2R,4S,5R)-5-(2-methyl-6-thiophen-2-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
CID 26742398

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone (CID 24734601) is furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone?
The InChIKey is YCDFLBNCJBUAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2S/c23-22(24,25)18-4-3-15-19(27-18)16(14-5-11-32-13-14)12-26-20(15)28-6-8-29(9-7-28)21(30)17-2-1-10-31-17/h1-5,10-13H,6-9H2.
What are the key properties of furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone has a molecular weight of 458.47 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 24734601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).