N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine

C24H22N4O2S — CID 172600109

IUPACN-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(-c4ccc5c(c4)CCNC5)nccc3cn2)cc1
InChIInChI=1S/C24H22N4O2S/c1-31(29,30)21-6-4-20(5-7-21)28-23-13-22-19(15-27-23)9-11-26-24(22)17-2-3-18-14-25-10-8-16(18)12-17/h2-7,9,11-13,15,25H,8,10,14H2,1H3,(H,27,28)
InChIKeyQHXUVNUFJBKHCP-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.09
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine

N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine (PubChem CID 172600109) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine
PubChem CID172600109
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(-c4ccc5c(c4)CCNC5)nccc3cn2)cc1
InChIInChI=1S/C24H22N4O2S/c1-31(29,30)21-6-4-20(5-7-21)28-23-13-22-19(15-27-23)9-11-26-24(22)17-2-3-18-14-25-10-8-16(18)12-17/h2-7,9,11-13,15,25H,8,10,14H2,1H3,(H,27,28)
InChIKeyQHXUVNUFJBKHCP-UHFFFAOYSA-N
XLogP4.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
CID 172600767
3-(4-methylsulfonylanilino)-5-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethynyl]isoquinoline-6-carbonitrile
CID 172600702
5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600310
1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
CID 172601080
5-(2,4-dimethylindazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600926
5-[4-methyl-2-(pyrrolidin-3-ylmethyl)indazol-5-yl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600813
5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600763
cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol
CID 172600044
N-(4-methylsulfonylphenyl)-5-[4-methyl-2-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-2,6-naphthyridin-3-amine
CID 172600324
5-[2-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]ethynyl]-1H-pyridin-2-one
CID 172600323
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
CID 172601046
N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
CID 170324234

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine?
The IUPAC name of N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine (CID 172600109) is N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine?
The canonical SMILES for N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine is CS(=O)(=O)c1ccc(Nc2cc3c(-c4ccc5c(c4)CCNC5)nccc3cn2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine?
The InChIKey is QHXUVNUFJBKHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-31(29,30)21-6-4-20(5-7-21)28-23-13-22-19(15-27-23)9-11-26-24(22)17-2-3-18-14-25-10-8-16(18)12-17/h2-7,9,11-13,15,25H,8,10,14H2,1H3,(H,27,28).
What are the key properties of N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine?
N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine has a molecular weight of 430.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).