7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

C123H149Cl9N28O5S6 — CID 159473359

About 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (PubChem CID 159473359) has the molecular formula C123H149Cl9N28O5S6 and a molecular weight of 2611.21 g/mol. Its IUPAC name is 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

Molecular Properties

• Compound Name: 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
• PubChem CID: 159473359
• Molecular Formula: C123H149Cl9N28O5S6
• Molecular Weight: 2611.21 g/mol
• Exact Mass: 2604.78
• IUPAC Name: 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
• SMILES: CC1(C)CCN(c2ncc(-c3cccc(Cl)c3Cl)c3c2CNC3=O)CC1.CC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3c2CNC3=O)CC1.CC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)n3nccc23)CC1.CCC1(C)CCN(c2nc(C)c(-c3cccc(Cl)c3Cl)n3ccnc23)CC1.COc1cccc(-c2c(C)nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)c3ccnn23)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2ccnn2c1-c1cccc(Cl)c1Cl.S.S.S.S
• InChI: InChI=1S/C23H28ClN5O2.C22H25Cl2N5O.C21H24Cl2N4.C20H21Cl2N3O.C19H22ClN5OS.C18H21ClN6S.4H2S/c1-14-20(16-5-4-6-18(30-3)19(16)24)29-17(7-10-26-29)22(27-14)28-11-8-23(9-12-28)13-31-15(2)21(23)25;1-13-19(15-4-3-5-16(23)18(15)24)29-17(6-9-26-29)21(27-13)28-10-7-22(8-11-28)12-30-14(2)20(22)25;1-4-21(3)8-11-26(12-9-21)20-19-24-10-13-27(19)18(14(2)25-20)15-6-5-7-16(22)17(15)23;1-20(2)6-8-25(9-7-20)18-14-11-24-19(26)16(14)13(10-23-18)12-4-3-5-15(21)17(12)22;1-19(2)4-7-25(8-5-19)17-11-9-24-18(26)14(11)13(10-23-17)27-12-3-6-22-16(21)15(12)20;1-18(2)5-9-24(10-6-18)17-12-3-8-23-25(12)14(11-22-17)26-13-4-7-21-16(20)15(13)19;;;;/h4-7,10,15,21H,8-9,11-13,25H2,1-3H3;3-6,9,14,20H,7-8,10-12,25H2,1-2H3;5-7,10,13H,4,8-9,11-12H2,1-3H3;3-5,10H,6-9,11H2,1-2H3,(H,24,26);3,6,10H,4-5,7-9H2,1-2H3,(H2,21,22)(H,24,26);3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,20,21);4*1H2/t15-,21+;14-,20+;;;;;;;;/m00......../s1
• InChIKey: LWBNBKAITFASNS-KZKZWZCWSA-N
• XLogP: 27.32
• TPSA: 381.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2611.21
LogP ≤ 5	27.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The IUPAC name of 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (CID 159473359) is 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

What is the SMILES notation for 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The canonical SMILES for 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is CC1(C)CCN(c2ncc(-c3cccc(Cl)c3Cl)c3c2CNC3=O)CC1.CC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3c2CNC3=O)CC1.CC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)n3nccc23)CC1.CCC1(C)CCN(c2nc(C)c(-c3cccc(Cl)c3Cl)n3ccnc23)CC1.COc1cccc(-c2c(C)nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)c3ccnn23)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2ccnn2c1-c1cccc(Cl)c1Cl.S.S.S.S.

What is the InChIKey of 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The InChIKey is LWBNBKAITFASNS-KZKZWZCWSA-N. The full InChI is InChI=1S/C23H28ClN5O2.C22H25Cl2N5O.C21H24Cl2N4.C20H21Cl2N3O.C19H22ClN5OS.C18H21ClN6S.4H2S/c1-14-20(16-5-4-6-18(30-3)19(16)24)29-17(7-10-26-29)22(27-14)28-11-8-23(9-12-28)13-31-15(2)21(23)25;1-13-19(15-4-3-5-16(23)18(15)24)29-17(6-9-26-29)21(27-13)28-10-7-22(8-11-28)12-30-14(2)20(22)25;1-4-21(3)8-11-26(12-9-21)20-19-24-10-13-27(19)18(14(2)25-20)15-6-5-7-16(22)17(15)23;1-20(2)6-8-25(9-7-20)18-14-11-24-19(26)16(14)13(10-23-18)12-4-3-5-15(21)17(12)22;1-19(2)4-7-25(8-5-19)17-11-9-24-18(26)14(11)13(10-23-17)27-12-3-6-22-16(21)15(12)20;1-18(2)5-9-24(10-6-18)17-12-3-8-23-25(12)14(11-22-17)26-13-4-7-21-16(20)15(13)19;;;;/h4-7,10,15,21H,8-9,11-13,25H2,1-3H3;3-6,9,14,20H,7-8,10-12,25H2,1-2H3;5-7,10,13H,4,8-9,11-12H2,1-3H3;3-5,10H,6-9,11H2,1-2H3,(H,24,26);3,6,10H,4-5,7-9H2,1-2H3,(H2,21,22)(H,24,26);3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,20,21);4*1H2/t15-,21+;14-,20+;;;;;;;;/m00......../s1.

What are the key properties of 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane has a molecular weight of 2611.21 g/mol, XLogP of 27.32, 16 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is sourced from PubChem (CID 159473359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).