2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol

C20H30N6O3S — CID 172600695

IUPAC2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
SMILESCS(=O)(=O)N1CCC(Nc2cc3c(N4CCN(CCO)CC4)nccc3cn2)CC1
InChIInChI=1S/C20H30N6O3S/c1-30(28,29)26-6-3-17(4-7-26)23-19-14-18-16(15-22-19)2-5-21-20(18)25-10-8-24(9-11-25)12-13-27/h2,5,14-15,17,27H,3-4,6-13H2,1H3,(H,22,23)
InChIKeyYFWMPANXMVSMNG-UHFFFAOYSA-N
MW434.57 g/mol
LogP0.58
Rot. Bonds6

About 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol

2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol (PubChem CID 172600695) has the molecular formula C20H30N6O3S and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
PubChem CID172600695
Molecular FormulaC20H30N6O3S
Molecular Weight434.57 g/mol
Exact Mass434.21
IUPAC Name2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
SMILESCS(=O)(=O)N1CCC(Nc2cc3c(N4CCN(CCO)CC4)nccc3cn2)CC1
InChIInChI=1S/C20H30N6O3S/c1-30(28,29)26-6-3-17(4-7-26)23-19-14-18-16(15-22-19)2-5-21-20(18)25-10-8-24(9-11-25)12-13-27/h2,5,14-15,17,27H,3-4,6-13H2,1H3,(H,22,23)
InChIKeyYFWMPANXMVSMNG-UHFFFAOYSA-N
XLogP0.58
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 172600965
5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600381
7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine
CID 172601278
ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
CID 172600523
4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 90245389
2-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]-2-azaspiro[3.3]heptan-6-ol
CID 172601127
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]isoquinolin-7-ol
CID 106541481
(3R,4R)-4-[[5-[(1S,3S)-3-aminocyclopentyl]-2,6-naphthyridin-3-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 178017023
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol
CID 172600250

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol (CID 172600695) is 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol is CS(=O)(=O)N1CCC(Nc2cc3c(N4CCN(CCO)CC4)nccc3cn2)CC1.
What is the InChIKey of 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol?
The InChIKey is YFWMPANXMVSMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3S/c1-30(28,29)26-6-3-17(4-7-26)23-19-14-18-16(15-22-19)2-5-21-20(18)25-10-8-24(9-11-25)12-13-27/h2,5,14-15,17,27H,3-4,6-13H2,1H3,(H,22,23).
What are the key properties of 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol?
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol has a molecular weight of 434.57 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 172600695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).