N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C117H127F9N20O10S5 — CID 157471826

IUPACN-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(CF)c3)cc3ccncc23)CC1.O=S(=O)(C1CCC1)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CCC1)N1CCC(Nc2cc(-c3ccnc(C(F)F)c3)cc3ccncc23)CC1
InChIInChI=1S/2C24H26F2N4O2S.C23H24F2N4O2S.C23H26F2N4O2S.C23H25FN4O2S/c25-24(26)23-13-16(5-9-28-23)18-12-17-4-8-27-15-21(17)22(14-18)29-19-6-10-30(11-7-19)33(31,32)20-2-1-3-20;25-24(26)22-5-4-17(14-28-22)18-12-16-6-9-27-15-21(16)23(13-18)29-19-7-10-30(11-8-19)33(31,32)20-2-1-3-20;24-23(25)18-10-17(12-27-13-18)16-9-15-3-6-26-14-21(15)22(11-16)28-19-4-7-29(8-5-19)32(30,31)20-1-2-20;1-2-11-32(30,31)29-9-6-19(7-10-29)28-22-13-18(12-16-5-8-26-15-20(16)22)17-3-4-21(23(24)25)27-14-17;24-12-16-9-19(14-26-13-16)18-10-17-3-6-25-15-22(17)23(11-18)27-20-4-7-28(8-5-20)31(29,30)21-1-2-21/h4-5,8-9,12-15,19-20,24,29H,1-3,6-7,10-11H2;4-6,9,12-15,19-20,24,29H,1-3,7-8,10-11H2;3,6,9-14,19-20,23,28H,1-2,4-5,7-8H2;3-5,8,12-15,19,23,28H,2,6-7,9-11H2,1H3;3,6,9-11,13-15,20-21,27H,1-2,4-5,7-8,12H2
InChIKeyBVCWSZCVDMRYAS-UHFFFAOYSA-N
MW2304.75 g/mol
LogP23.57
Rot. Bonds31

About N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine

N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 157471826) has the molecular formula C117H127F9N20O10S5 and a molecular weight of 2304.75 g/mol. Its IUPAC name is N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID157471826
Molecular FormulaC117H127F9N20O10S5
Molecular Weight2304.75 g/mol
Exact Mass2302.85
IUPAC NameN-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(CF)c3)cc3ccncc23)CC1.O=S(=O)(C1CCC1)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CCC1)N1CCC(Nc2cc(-c3ccnc(C(F)F)c3)cc3ccncc23)CC1
InChIInChI=1S/2C24H26F2N4O2S.C23H24F2N4O2S.C23H26F2N4O2S.C23H25FN4O2S/c25-24(26)23-13-16(5-9-28-23)18-12-17-4-8-27-15-21(17)22(14-18)29-19-6-10-30(11-7-19)33(31,32)20-2-1-3-20;25-24(26)22-5-4-17(14-28-22)18-12-16-6-9-27-15-21(16)23(13-18)29-19-7-10-30(11-8-19)33(31,32)20-2-1-3-20;24-23(25)18-10-17(12-27-13-18)16-9-15-3-6-26-14-21(15)22(11-16)28-19-4-7-29(8-5-19)32(30,31)20-1-2-20;1-2-11-32(30,31)29-9-6-19(7-10-29)28-22-13-18(12-16-5-8-26-15-20(16)22)17-3-4-21(23(24)25)27-14-17;24-12-16-9-19(14-26-13-16)18-10-17-3-6-25-15-22(17)23(11-18)27-20-4-7-28(8-5-20)31(29,30)21-1-2-21/h4-5,8-9,12-15,19-20,24,29H,1-3,6-7,10-11H2;4-6,9,12-15,19-20,24,29H,1-3,7-8,10-11H2;3,6,9-14,19-20,23,28H,1-2,4-5,7-8H2;3-5,8,12-15,19,23,28H,2,6-7,9-11H2,1H3;3,6,9-11,13-15,20-21,27H,1-2,4-5,7-8,12H2
InChIKeyBVCWSZCVDMRYAS-UHFFFAOYSA-N
XLogP23.57
TPSA375.95 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.75
LogP ≤ 523.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine with MolForge

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)pyridin-3-yl]isoquinolin-8-amine
CID 59534718
6-[6-(difluoromethyl)pyridin-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534832
N-(1-methylsulfonylpiperidin-4-yl)-6-[6-(trifluoromethyl)pyridin-3-yl]isoquinolin-8-amine
CID 59534834
N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine
CID 59534879
6-[5-(difluoromethyl)pyridin-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534926
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 59534957
6-(2-methylpyridin-4-yl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine
CID 59534964
N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)pyridin-4-yl]isoquinolin-8-amine
CID 59534984
6-[6-(difluoromethyl)pyridin-3-yl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534986
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)pyridin-4-yl]isoquinolin-8-amine
CID 59535004
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine
CID 59535081
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine
CID 59535090

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 157471826) is N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(CF)c3)cc3ccncc23)CC1.O=S(=O)(C1CCC1)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CCC1)N1CCC(Nc2cc(-c3ccnc(C(F)F)c3)cc3ccncc23)CC1.
What is the InChIKey of N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is BVCWSZCVDMRYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26F2N4O2S.C23H24F2N4O2S.C23H26F2N4O2S.C23H25FN4O2S/c25-24(26)23-13-16(5-9-28-23)18-12-17-4-8-27-15-21(17)22(14-18)29-19-6-10-30(11-7-19)33(31,32)20-2-1-3-20;25-24(26)22-5-4-17(14-28-22)18-12-16-6-9-27-15-21(16)23(13-18)29-19-7-10-30(11-8-19)33(31,32)20-2-1-3-20;24-23(25)18-10-17(12-27-13-18)16-9-15-3-6-26-14-21(15)22(11-16)28-19-4-7-29(8-5-19)32(30,31)20-1-2-20;1-2-11-32(30,31)29-9-6-19(7-10-29)28-22-13-18(12-16-5-8-26-15-20(16)22)17-3-4-21(23(24)25)27-14-17;24-12-16-9-19(14-26-13-16)18-10-17-3-6-25-15-22(17)23(11-18)27-20-4-7-28(8-5-20)31(29,30)21-1-2-21/h4-5,8-9,12-15,19-20,24,29H,1-3,6-7,10-11H2;4-6,9,12-15,19-20,24,29H,1-3,7-8,10-11H2;3,6,9-14,19-20,23,28H,1-2,4-5,7-8H2;3-5,8,12-15,19,23,28H,2,6-7,9-11H2,1H3;3,6,9-11,13-15,20-21,27H,1-2,4-5,7-8,12H2.
What are the key properties of N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 2304.75 g/mol, XLogP of 23.57, 31 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 157471826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).