6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C24H23N5O2S — CID 45274758

IUPAC6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESO=S(=O)(c1ccccn1)N1CCC(Nc2cc(-c3cccnc3)cc3ccncc23)CC1
InChIInChI=1S/C24H23N5O2S/c30-32(31,24-5-1-2-10-27-24)29-12-7-21(8-13-29)28-23-15-20(19-4-3-9-25-16-19)14-18-6-11-26-17-22(18)23/h1-6,9-11,14-17,21,28H,7-8,12-13H2
InChIKeyFBNLXSOGKCFIQR-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.96
Rot. Bonds5

About 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine

6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 45274758) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID45274758
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESO=S(=O)(c1ccccn1)N1CCC(Nc2cc(-c3cccnc3)cc3ccncc23)CC1
InChIInChI=1S/C24H23N5O2S/c30-32(31,24-5-1-2-10-27-24)29-12-7-21(8-13-29)28-23-15-20(19-4-3-9-25-16-19)14-18-6-11-26-17-22(18)23/h1-6,9-11,14-17,21,28H,7-8,12-13H2
InChIKeyFBNLXSOGKCFIQR-UHFFFAOYSA-N
XLogP3.96
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine with MolForge

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Related Compounds

N-(3-(6-(pyridin-4-ylmethyl)quinolin-8-yl)phenyl)benzenesulfonamide
CID 10195164
7-(6-Methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
CID 71579333
N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide
CID 10391182
4-[(Benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide
CID 3248107
N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 46966805
4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide
CID 122195268
N-[2-[[(E)-3-(4-quinolin-3-ylphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
CID 155550423
N-benzo[h]quinolin-10-yl-4-methylbenzenesulfonamide
CID 16069284
5-[8-[(1-Ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile
CID 45274654
Benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine
CID 58174331
Benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;palladium(2+);pyridine;trifluoromethylbenzene
CID 58174410
6-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534697

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 45274758) is 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine is O=S(=O)(c1ccccn1)N1CCC(Nc2cc(-c3cccnc3)cc3ccncc23)CC1.
What is the InChIKey of 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is FBNLXSOGKCFIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-32(31,24-5-1-2-10-27-24)29-12-7-21(8-13-29)28-23-15-20(19-4-3-9-25-16-19)14-18-6-11-26-17-22(18)23/h1-6,9-11,14-17,21,28H,7-8,12-13H2.
What are the key properties of 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 445.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 45274758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).