1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone

C20H22FN5OS — CID 159054855

IUPAC1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CCF)CC4)cc3n2)s1
InChIInChI=1S/C20H22FN5OS/c1-13-24-25-20(28-13)17-3-2-15-12-22-16(10-18(15)23-17)11-19(27)14-4-7-26(8-5-14)9-6-21/h2-3,10,12,14H,4-9,11H2,1H3
InChIKeyJXSPJZJSEVPODU-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.25
Rot. Bonds6

About 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone

1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 159054855) has the molecular formula C20H22FN5OS and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID159054855
Molecular FormulaC20H22FN5OS
Molecular Weight399.50 g/mol
Exact Mass399.15
IUPAC Name1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CCF)CC4)cc3n2)s1
InChIInChI=1S/C20H22FN5OS/c1-13-24-25-20(28-13)17-3-2-15-12-22-16(10-18(15)23-17)11-19(27)14-4-7-26(8-5-14)9-6-21/h2-3,10,12,14H,4-9,11H2,1H3
InChIKeyJXSPJZJSEVPODU-UHFFFAOYSA-N
XLogP3.25
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
CID 162225064
2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 147019913
1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158091038
4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
CID 138589977
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one
CID 158094840
4-(1,3-difluoropropan-2-ylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138586981
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160826178
2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
CID 159784570
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 157443965
1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-[6-(3-methyltriazol-4-yl)isoquinolin-3-yl]ethanone
CID 148624292
1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159890258
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161367974

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone (CID 159054855) is 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone is Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CCF)CC4)cc3n2)s1.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is JXSPJZJSEVPODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5OS/c1-13-24-25-20(28-13)17-3-2-15-12-22-16(10-18(15)23-17)11-19(27)14-4-7-26(8-5-14)9-6-21/h2-3,10,12,14H,4-9,11H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone?
1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 399.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 159054855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).