6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C107H121ClN22O11S5 — CID 158529575

IUPAC6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.COc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(Cl)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(C3=CN4C=CNC4C=C3)cc3ccncc23)CC1.Cn1cnc2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)cc21
InChIInChI=1S/C23H25N5O2S.C22H25N5O2S.C22H25N3O3S.C20H21ClN4O2S.C20H25N5O2S/c1-27-15-25-21-4-3-16(13-23(21)27)18-11-17-5-8-24-14-20(17)22(12-18)26-19-6-9-28(10-7-19)31(2,29)30;1-30(28,29)27-9-5-19(6-10-27)25-21-13-18(12-16-4-7-23-14-20(16)21)17-2-3-22-24-8-11-26(22)15-17;1-28-20-5-3-4-16(13-20)18-12-17-6-9-23-15-21(17)22(14-18)24-19-7-10-25(11-8-19)29(2,26)27;1-28(26,27)25-6-3-18(4-7-25)24-20-10-15(16-9-17(21)12-23-11-16)8-14-2-5-22-13-19(14)20;1-3-24-14-17(12-22-24)16-10-15-4-7-21-13-19(15)20(11-16)23-18-5-8-25(9-6-18)28(2,26)27/h3-5,8,11-15,19,26H,6-7,9-10H2,1-2H3;2-4,7-8,11-15,19,22,24-25H,5-6,9-10H2,1H3;3-6,9,12-15,19,24H,7-8,10-11H2,1-2H3;2,5,8-13,18,24H,3-4,6-7H2,1H3;4,7,10-14,18,23H,3,5-6,8-9H2,1-2H3
InChIKeyHNEWANUBEYXVIA-UHFFFAOYSA-N
MW2087.08 g/mol
LogP16.79
Rot. Bonds22

About 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 158529575) has the molecular formula C107H121ClN22O11S5 and a molecular weight of 2087.08 g/mol. Its IUPAC name is 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID158529575
Molecular FormulaC107H121ClN22O11S5
Molecular Weight2087.08 g/mol
Exact Mass2084.79
IUPAC Name6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.COc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(Cl)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(C3=CN4C=CNC4C=C3)cc3ccncc23)CC1.Cn1cnc2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)cc21
InChIInChI=1S/C23H25N5O2S.C22H25N5O2S.C22H25N3O3S.C20H21ClN4O2S.C20H25N5O2S/c1-27-15-25-21-4-3-16(13-23(21)27)18-11-17-5-8-24-14-20(17)22(12-18)26-19-6-9-28(10-7-19)31(2,29)30;1-30(28,29)27-9-5-19(6-10-27)25-21-13-18(12-16-4-7-23-14-20(16)21)17-2-3-22-24-8-11-26(22)15-17;1-28-20-5-3-4-16(13-20)18-12-17-6-9-23-15-21(17)22(14-18)24-19-7-10-25(11-8-19)29(2,26)27;1-28(26,27)25-6-3-18(4-7-25)24-20-10-15(16-9-17(21)12-23-11-16)8-14-2-5-22-13-19(14)20;1-3-24-14-17(12-22-24)16-10-15-4-7-21-13-19(15)20(11-16)23-18-5-8-25(9-6-18)28(2,26)27/h3-5,8,11-15,19,26H,6-7,9-10H2,1-2H3;2-4,7-8,11-15,19,22,24-25H,5-6,9-10H2,1H3;3-6,9,12-15,19,24H,7-8,10-11H2,1-2H3;2,5,8-13,18,24H,3-4,6-7H2,1H3;4,7,10-14,18,23H,3,5-6,8-9H2,1-2H3
InChIKeyHNEWANUBEYXVIA-UHFFFAOYSA-N
XLogP16.79
TPSA384.53 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002087.08
LogP ≤ 516.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine with MolForge

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Related Compounds

3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157122644
3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 159946066
N-[(1S)-1-[8-chloro-1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrrolo[1,2-b]pyridazin-4-amine;N-[(1S)-1-[8-methyl-1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrrolo[1,2-b]pyridazin-4-amine;N-[(1S)-1-[5-methyl-4-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-2-yl]ethyl]pyrrolo[1,2-b]pyridazin-4-amine;N-[(1S)-1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrrolo[1,2-b]pyridazin-4-amine
CID 160302108
N-[(1S)-1-[5-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-2-yl]ethyl]pyrrolo[1,2-b]pyridazin-4-amine;N-[(1S)-1-[5-methyl-4-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-2-yl]ethyl]pyrrolo[1,2-b]pyridazin-4-amine;N-[(1S)-1-[4-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-2-yl]ethyl]pyrrolo[1,2-b]pyridazin-4-amine
CID 161541716
3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 162239767
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine
CID 164953656
4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine
CID 158946045
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine
CID 158946046

Frequently Asked Questions

What is the IUPAC name of 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 158529575) is 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CCn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.COc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(Cl)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(C3=CN4C=CNC4C=C3)cc3ccncc23)CC1.Cn1cnc2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)cc21.
What is the InChIKey of 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is HNEWANUBEYXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S.C22H25N5O2S.C22H25N3O3S.C20H21ClN4O2S.C20H25N5O2S/c1-27-15-25-21-4-3-16(13-23(21)27)18-11-17-5-8-24-14-20(17)22(12-18)26-19-6-9-28(10-7-19)31(2,29)30;1-30(28,29)27-9-5-19(6-10-27)25-21-13-18(12-16-4-7-23-14-20(16)21)17-2-3-22-24-8-11-26(22)15-17;1-28-20-5-3-4-16(13-20)18-12-17-6-9-23-15-21(17)22(14-18)24-19-7-10-25(11-8-19)29(2,26)27;1-28(26,27)25-6-3-18(4-7-25)24-20-10-15(16-9-17(21)12-23-11-16)8-14-2-5-22-13-19(14)20;1-3-24-14-17(12-22-24)16-10-15-4-7-21-13-19(15)20(11-16)23-18-5-8-25(9-6-18)28(2,26)27/h3-5,8,11-15,19,26H,6-7,9-10H2,1-2H3;2-4,7-8,11-15,19,22,24-25H,5-6,9-10H2,1H3;3-6,9,12-15,19,24H,7-8,10-11H2,1-2H3;2,5,8-13,18,24H,3-4,6-7H2,1H3;4,7,10-14,18,23H,3,5-6,8-9H2,1-2H3.
What are the key properties of 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 2087.08 g/mol, XLogP of 16.79, 22 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 158529575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).