3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

C117H138Cl11N31O2S6 — CID 159366968

About 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (PubChem CID 159366968) has the molecular formula C117H138Cl11N31O2S6 and a molecular weight of 2592.99 g/mol. Its IUPAC name is 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

Molecular Properties

• Compound Name: 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
• PubChem CID: 159366968
• Molecular Formula: C117H138Cl11N31O2S6
• Molecular Weight: 2592.99 g/mol
• Exact Mass: 2585.65
• IUPAC Name: 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
• SMILES: CC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3n[nH]nc23)CC1.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)c4nsnc34)CC2)[C@@H]1N.Cc1nc(N2CCC(C)(C)CC2)c2cn[nH]c2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(C)CC2)c2nccn2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(C)CC2)c2nncn2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nncn2c1-c1cccc(Cl)c1Cl.S.S.S.S
• InChI: InChI=1S/C21H24Cl2N6O.C20H21Cl2N5OS.2C20H22Cl2N4.C19H21Cl2N5.C17H20ClN7S.4H2S/c1-12-17(14-4-3-5-15(22)16(14)23)29-11-25-27-20(29)19(26-12)28-8-6-21(7-9-28)10-30-13(2)18(21)24;1-11-18(23)20(10-28-11)5-7-27(8-6-20)19-17-16(25-29-26-17)13(9-24-19)12-3-2-4-14(21)15(12)22;1-13-17(14-5-4-6-15(21)16(14)22)26-12-9-23-18(26)19(24-13)25-10-7-20(2,3)8-11-25;1-12-16(13-5-4-6-15(21)17(13)22)18-14(11-23-25-18)19(24-12)26-9-7-20(2,3)8-10-26;1-12-16(13-5-4-6-14(20)15(13)21)26-11-22-24-18(26)17(23-12)25-9-7-19(2,3)8-10-25;1-17(2)4-7-25(8-5-17)16-14-13(22-24-23-14)11(9-21-16)26-10-3-6-20-15(19)12(10)18;;;;/h3-5,11,13,18H,6-10,24H2,1-2H3;2-4,9,11,18H,5-8,10,23H2,1H3;4-6,9,12H,7-8,10-11H2,1-3H3;4-6,11H,7-10H2,1-3H3,(H,23,25);4-6,11H,7-10H2,1-3H3;3,6,9H,4-5,7-8H2,1-2H3,(H2,19,20)(H,22,23,24);4*1H2/t13-,18+;11-,18+;;;;;;;;/m00......../s1
• InChIKey: LJGFFSNWACHSDL-SCJSIOAUSA-N
• XLogP: 28.88
• TPSA: 379.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2592.99
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The IUPAC name of 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (CID 159366968) is 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

What is the SMILES notation for 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The canonical SMILES for 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is CC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3n[nH]nc23)CC1.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)c4nsnc34)CC2)[C@@H]1N.Cc1nc(N2CCC(C)(C)CC2)c2cn[nH]c2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(C)CC2)c2nccn2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(C)CC2)c2nncn2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nncn2c1-c1cccc(Cl)c1Cl.S.S.S.S.

What is the InChIKey of 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The InChIKey is LJGFFSNWACHSDL-SCJSIOAUSA-N. The full InChI is InChI=1S/C21H24Cl2N6O.C20H21Cl2N5OS.2C20H22Cl2N4.C19H21Cl2N5.C17H20ClN7S.4H2S/c1-12-17(14-4-3-5-15(22)16(14)23)29-11-25-27-20(29)19(26-12)28-8-6-21(7-9-28)10-30-13(2)18(21)24;1-11-18(23)20(10-28-11)5-7-27(8-6-20)19-17-16(25-29-26-17)13(9-24-19)12-3-2-4-14(21)15(12)22;1-13-17(14-5-4-6-15(21)16(14)22)26-12-9-23-18(26)19(24-13)25-10-7-20(2,3)8-11-25;1-12-16(13-5-4-6-15(21)17(13)22)18-14(11-23-25-18)19(24-12)26-9-7-20(2,3)8-10-26;1-12-16(13-5-4-6-14(20)15(13)21)26-11-22-24-18(26)17(23-12)25-9-7-19(2,3)8-10-25;1-17(2)4-7-25(8-5-17)16-14-13(22-24-23-14)11(9-21-16)26-10-3-6-20-15(19)12(10)18;;;;/h3-5,11,13,18H,6-10,24H2,1-2H3;2-4,9,11,18H,5-8,10,23H2,1H3;4-6,9,12H,7-8,10-11H2,1-3H3;4-6,11H,7-10H2,1-3H3,(H,23,25);4-6,11H,7-10H2,1-3H3;3,6,9H,4-5,7-8H2,1-2H3,(H2,19,20)(H,22,23,24);4*1H2/t13-,18+;11-,18+;;;;;;;;/m00......../s1.

What are the key properties of 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane has a molecular weight of 2592.99 g/mol, XLogP of 28.88, 13 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is sourced from PubChem (CID 159366968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).