1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone

C24H23N5OS2 — CID 159348994

IUPAC1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCN1CCC(Sc2cc(C(=O)Cc3cc4nc(-c5cncs5)ccc4cn3)ccn2)CC1
InChIInChI=1S/C24H23N5OS2/c1-29-8-5-19(6-9-29)32-24-10-16(4-7-26-24)22(30)12-18-11-21-17(13-27-18)2-3-20(28-21)23-14-25-15-31-23/h2-4,7,10-11,13-15,19H,5-6,8-9,12H2,1H3
InChIKeyLHBYWCVIWXSNOO-UHFFFAOYSA-N
MW461.62 g/mol
LogP4.76
Rot. Bonds6

About 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone

1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 159348994) has the molecular formula C24H23N5OS2 and a molecular weight of 461.62 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID159348994
Molecular FormulaC24H23N5OS2
Molecular Weight461.62 g/mol
Exact Mass461.13
IUPAC Name1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCN1CCC(Sc2cc(C(=O)Cc3cc4nc(-c5cncs5)ccc4cn3)ccn2)CC1
InChIInChI=1S/C24H23N5OS2/c1-29-8-5-19(6-9-29)32-24-10-16(4-7-26-24)22(30)12-18-11-21-17(13-27-18)2-3-20(28-21)23-14-25-15-31-23/h2-4,7,10-11,13-15,19H,5-6,8-9,12H2,1H3
InChIKeyLHBYWCVIWXSNOO-UHFFFAOYSA-N
XLogP4.76
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.62
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 148801769
2-(1-methylpiperidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 138591006
2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 147995792
N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide
CID 157466044
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-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158814116
2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
CID 153018461
2-[6-(2-amino-3H-pyrrol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-cyclobutyloxy-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]ethanone
CID 160675350
1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160631590
1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159579940
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160895108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone (CID 159348994) is 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone is CN1CCC(Sc2cc(C(=O)Cc3cc4nc(-c5cncs5)ccc4cn3)ccn2)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is LHBYWCVIWXSNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS2/c1-29-8-5-19(6-9-29)32-24-10-16(4-7-26-24)22(30)12-18-11-21-17(13-27-18)2-3-20(28-21)23-14-25-15-31-23/h2-4,7,10-11,13-15,19H,5-6,8-9,12H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone?
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 461.62 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 159348994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).