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

C20H21F2N5OS — CID 162225064

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(F)F)CC4)cc3n2)s1
InChIInChI=1S/C20H21F2N5OS/c1-12-25-26-20(29-12)16-3-2-14-10-23-15(8-17(14)24-16)9-18(28)13-4-6-27(7-5-13)11-19(21)22/h2-3,8,10,13,19H,4-7,9,11H2,1H3
InChIKeyZUQJOUWMAKCTEY-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.55
Rot. Bonds6

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

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 162225064) has the molecular formula C20H21F2N5OS and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID162225064
Molecular FormulaC20H21F2N5OS
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(F)F)CC4)cc3n2)s1
InChIInChI=1S/C20H21F2N5OS/c1-12-25-26-20(29-12)16-3-2-14-10-23-15(8-17(14)24-16)9-18(28)13-4-6-27(7-5-13)11-19(21)22/h2-3,8,10,13,19H,4-7,9,11H2,1H3
InChIKeyZUQJOUWMAKCTEY-UHFFFAOYSA-N
XLogP3.55
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-(2,2-difluoroethyl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586733
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-[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-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
CID 138589977
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-[(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
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
2-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 138589710

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone (CID 162225064) is 1-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)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-(2,2-difluoroethyl)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(CC(F)F)CC4)cc3n2)s1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is ZUQJOUWMAKCTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5OS/c1-12-25-26-20(29-12)16-3-2-14-10-23-15(8-17(14)24-16)9-18(28)13-4-6-27(7-5-13)11-19(21)22/h2-3,8,10,13,19H,4-7,9,11H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 417.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 162225064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).