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

C114H123F7N20O10S5 — CID 157294221

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(CF)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccc(CF)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccnc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccnc(CF)c3)cc3ccncc23)CC1
InChIInChI=1S/2C23H24F2N4O2S.2C23H25FN4O2S.C22H25FN4O2S/c24-23(25)21-4-1-16(13-27-21)17-11-15-5-8-26-14-20(15)22(12-17)28-18-6-9-29(10-7-18)32(30,31)19-2-3-19;24-23(25)22-12-15(4-8-27-22)17-11-16-3-7-26-14-20(16)21(13-17)28-18-5-9-29(10-6-18)32(30,31)19-1-2-19;24-14-20-12-16(4-8-26-20)18-11-17-3-7-25-15-22(17)23(13-18)27-19-5-9-28(10-6-19)31(29,30)21-1-2-21;24-13-20-2-1-17(14-26-20)18-11-16-5-8-25-15-22(16)23(12-18)27-19-6-9-28(10-7-19)31(29,30)21-3-4-21;1-2-30(28,29)27-9-5-19(6-10-27)26-22-13-18(11-17-3-7-24-15-21(17)22)16-4-8-25-20(12-16)14-23/h1,4-5,8,11-14,18-19,23,28H,2-3,6-7,9-10H2;3-4,7-8,11-14,18-19,23,28H,1-2,5-6,9-10H2;3-4,7-8,11-13,15,19,21,27H,1-2,5-6,9-10,14H2;1-2,5,8,11-12,14-15,19,21,27H,3-4,6-7,9-10,13H2;3-4,7-8,11-13,15,19,26H,2,5-6,9-10,14H2,1H3
InChIKeyBBDPZLUMQAMZHC-UHFFFAOYSA-N
MW2226.69 g/mol
LogP21.47
Rot. Bonds30

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

N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine (PubChem CID 157294221) has the molecular formula C114H123F7N20O10S5 and a molecular weight of 2226.69 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine
PubChem CID157294221
Molecular FormulaC114H123F7N20O10S5
Molecular Weight2226.69 g/mol
Exact Mass2224.82
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(CF)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccc(CF)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccnc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccnc(CF)c3)cc3ccncc23)CC1
InChIInChI=1S/2C23H24F2N4O2S.2C23H25FN4O2S.C22H25FN4O2S/c24-23(25)21-4-1-16(13-27-21)17-11-15-5-8-26-14-20(15)22(12-17)28-18-6-9-29(10-7-18)32(30,31)19-2-3-19;24-23(25)22-12-15(4-8-27-22)17-11-16-3-7-26-14-20(16)21(13-17)28-18-5-9-29(10-6-18)32(30,31)19-1-2-19;24-14-20-12-16(4-8-26-20)18-11-17-3-7-25-15-22(17)23(13-18)27-19-5-9-28(10-6-19)31(29,30)21-1-2-21;24-13-20-2-1-17(14-26-20)18-11-16-5-8-25-15-22(16)23(12-18)27-19-6-9-28(10-7-19)31(29,30)21-3-4-21;1-2-30(28,29)27-9-5-19(6-10-27)26-22-13-18(11-17-3-7-24-15-21(17)22)16-4-8-25-20(12-16)14-23/h1,4-5,8,11-14,18-19,23,28H,2-3,6-7,9-10H2;3-4,7-8,11-14,18-19,23,28H,1-2,5-6,9-10H2;3-4,7-8,11-13,15,19,21,27H,1-2,5-6,9-10,14H2;1-2,5,8,11-12,14-15,19,21,27H,3-4,6-7,9-10,13H2;3-4,7-8,11-13,15,19,26H,2,5-6,9-10,14H2,1H3
InChIKeyBBDPZLUMQAMZHC-UHFFFAOYSA-N
XLogP21.47
TPSA375.95 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.69
LogP ≤ 521.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

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

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Related Compounds

Bis(16,17-dimethyl-12,21-diazoniaheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene);tetrakis(trifluoromethanesulfonate)
CID 139092552
Acetonitrile;tetrakis(trifluoromethanesulfonate);bis(5,12,13-trimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene)
CID 139187109
bis(4-[(E)-2-(12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3,5,7,12,17(26),18,20,22,24-undecaen-7-yl)ethenyl]-N,N-dimethylaniline);tetrakis(trifluoromethanesulfonate);hydrate
CID 168330033
6-[2-(difluoromethyl)pyridin-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534706
N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)pyridin-3-yl]isoquinolin-8-amine
CID 59534718
N-(1-ethylsulfonylpiperidin-4-yl)-6-(4-fluoro-5-methyl-3-pyridinyl)isoquinolin-8-amine
CID 59534728
6-(5-fluoro-6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534741
6-(2,6-difluoro-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534773
N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 59534799
6-(6-fluoro-2-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534801
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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine (CID 157294221) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(CF)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccc(C(F)F)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccc(CF)nc3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccnc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccnc(CF)c3)cc3ccncc23)CC1.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine?
The InChIKey is BBDPZLUMQAMZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24F2N4O2S.2C23H25FN4O2S.C22H25FN4O2S/c24-23(25)21-4-1-16(13-27-21)17-11-15-5-8-26-14-20(15)22(12-17)28-18-6-9-29(10-7-18)32(30,31)19-2-3-19;24-23(25)22-12-15(4-8-27-22)17-11-16-3-7-26-14-20(16)21(13-17)28-18-5-9-29(10-6-18)32(30,31)19-1-2-19;24-14-20-12-16(4-8-26-20)18-11-17-3-7-25-15-22(17)23(13-18)27-19-5-9-28(10-6-19)31(29,30)21-1-2-21;24-13-20-2-1-17(14-26-20)18-11-16-5-8-25-15-22(16)23(12-18)27-19-6-9-28(10-7-19)31(29,30)21-3-4-21;1-2-30(28,29)27-9-5-19(6-10-27)26-22-13-18(11-17-3-7-24-15-21(17)22)16-4-8-25-20(12-16)14-23/h1,4-5,8,11-14,18-19,23,28H,2-3,6-7,9-10H2;3-4,7-8,11-14,18-19,23,28H,1-2,5-6,9-10H2;3-4,7-8,11-13,15,19,21,27H,1-2,5-6,9-10,14H2;1-2,5,8,11-12,14-15,19,21,27H,3-4,6-7,9-10,13H2;3-4,7-8,11-13,15,19,26H,2,5-6,9-10,14H2,1H3.
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine has a molecular weight of 2226.69 g/mol, XLogP of 21.47, 30 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine is sourced from PubChem (CID 157294221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).