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

C22H26N6O2S — CID 147019913

IUPAC2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)N4CCC(N5CCOCC5)CC4)cc3n2)s1
InChIInChI=1S/C22H26N6O2S/c1-15-25-26-22(31-15)19-3-2-16-14-23-17(12-20(16)24-19)13-21(29)28-6-4-18(5-7-28)27-8-10-30-11-9-27/h2-3,12,14,18H,4-11,13H2,1H3
InChIKeyAVMVKLQBMGELAF-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.32
Rot. Bonds4

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

2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 147019913) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID147019913
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)N4CCC(N5CCOCC5)CC4)cc3n2)s1
InChIInChI=1S/C22H26N6O2S/c1-15-25-26-22(31-15)19-3-2-16-14-23-17(12-20(16)24-19)13-21(29)28-6-4-18(5-7-28)27-8-10-30-11-9-27/h2-3,12,14,18H,4-11,13H2,1H3
InChIKeyAVMVKLQBMGELAF-UHFFFAOYSA-N
XLogP2.32
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
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
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
1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone
CID 158885542
4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
CID 138589977
2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
CID 159565565
1-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-3-morpholin-4-ylpropan-2-one
CID 153111580
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138586932
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138587970
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
3-(1,3-difluoropropan-2-ylamino)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138604882
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 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) is 2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone is Cc1nnc(-c2ccc3cnc(CC(=O)N4CCC(N5CCOCC5)CC4)cc3n2)s1.
What is the InChIKey of 2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is AVMVKLQBMGELAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-15-25-26-22(31-15)19-3-2-16-14-23-17(12-20(16)24-19)13-21(29)28-6-4-18(5-7-28)27-8-10-30-11-9-27/h2-3,12,14,18H,4-11,13H2,1H3.
What are the key properties of 2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 438.56 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 147019913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).