[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol

C21H24N4OS — CID 172600250

IUPAC[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol
SMILESCSN1CCC(Nc2cc3c(-c4ccc(CO)cc4)nccc3cn2)CC1
InChIInChI=1S/C21H24N4OS/c1-27-25-10-7-18(8-11-25)24-20-12-19-17(13-23-20)6-9-22-21(19)16-4-2-15(14-26)3-5-16/h2-6,9,12-13,18,26H,7-8,10-11,14H2,1H3,(H,23,24)
InChIKeyGPGQXKUXIWUESS-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.94
Rot. Bonds5

About [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol

[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol (PubChem CID 172600250) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol
PubChem CID172600250
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol
SMILESCSN1CCC(Nc2cc3c(-c4ccc(CO)cc4)nccc3cn2)CC1
InChIInChI=1S/C21H24N4OS/c1-27-25-10-7-18(8-11-25)24-20-12-19-17(13-23-20)6-9-22-21(19)16-4-2-15(14-26)3-5-16/h2-6,9,12-13,18,26H,7-8,10-11,14H2,1H3,(H,23,24)
InChIKeyGPGQXKUXIWUESS-UHFFFAOYSA-N
XLogP3.94
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600610
5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600777
2-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]-2-azaspiro[3.3]heptan-6-ol
CID 172601127
1-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridine-1-carbonyl]pyrrolidine-3-carbonitrile
CID 172600222
N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine
CID 172601045
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
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
ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
CID 172600523
[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol
CID 95825449
[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 172600335
2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289495

Frequently Asked Questions

What is the IUPAC name of [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol?
The IUPAC name of [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol (CID 172600250) is [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol?
The canonical SMILES for [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol is CSN1CCC(Nc2cc3c(-c4ccc(CO)cc4)nccc3cn2)CC1.
What is the InChIKey of [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol?
The InChIKey is GPGQXKUXIWUESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-27-25-10-7-18(8-11-25)24-20-12-19-17(13-23-20)6-9-22-21(19)16-4-2-15(14-26)3-5-16/h2-6,9,12-13,18,26H,7-8,10-11,14H2,1H3,(H,23,24).
What are the key properties of [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol?
[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol has a molecular weight of 380.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol is sourced from PubChem (CID 172600250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).