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

C82H107Cl5N26O3S8 — CID 158168901

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

(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane (PubChem CID 158168901) has the molecular formula C82H107Cl5N26O3S8 and a molecular weight of 1938.74 g/mol. Its IUPAC name is (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane.

Molecular Properties

• Compound Name: (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane
• PubChem CID: 158168901
• Molecular Formula: C82H107Cl5N26O3S8
• Molecular Weight: 1938.74 g/mol
• Exact Mass: 1934.52
• IUPAC Name: (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane
• SMILES: C[C@@H]1OCC2(CCN(c3nc(N)c(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4[nH]ncc34)CC2)[C@@H]1N.Cc1nc(N2CCC(C)(C)CC2)c2cn[nH]c2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2ccnn2c1-c1cccc(C#N)c1Cl.S.S.S.S.S.S
• InChI: InChI=1S/C23H25ClN6O.C20H23Cl2N7O.C20H24ClN7OS.C19H23ClN6S.6H2S/c1-14-20(17-5-3-4-16(12-25)19(17)24)30-18(6-9-27-30)22(28-14)29-10-7-23(8-11-29)13-31-15(2)21(23)26;1-11-16(23)20(9-30-11)5-7-28(8-6-20)19-18-25-10-26-29(18)15(17(24)27-19)12-3-2-4-13(21)14(12)22;1-11-17(22)20(10-29-11)3-6-28(7-4-20)19-12-8-26-27-16(12)14(9-25-19)30-13-2-5-24-18(23)15(13)21;1-11-16(27-13-4-7-22-17(21)14(13)20)15-12(10-23-25-15)18(24-11)26-8-5-19(2,3)6-9-26;;;;;;/h3-6,9,15,21H,7-8,10-11,13,26H2,1-2H3;2-4,10-11,16H,5-9,23-24H2,1H3;2,5,8-9,11,17H,3-4,6-7,10,22H2,1H3,(H2,23,24)(H,26,27);4,7,10H,5-6,8-9H2,1-3H3,(H2,21,22)(H,23,25);6*1H2/t15-,21+;11-,16+;11-,17+;;;;;;;/m000......./s1
• InChIKey: FXEXNASICIKCKR-LDTWGMJISA-N
• XLogP: 15.00
• TPSA: 402.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1938.74
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane (CID 158168901) is (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane.

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

The canonical SMILES for (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane is C[C@@H]1OCC2(CCN(c3nc(N)c(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4[nH]ncc34)CC2)[C@@H]1N.Cc1nc(N2CCC(C)(C)CC2)c2cn[nH]c2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2ccnn2c1-c1cccc(C#N)c1Cl.S.S.S.S.S.S.

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

The InChIKey is FXEXNASICIKCKR-LDTWGMJISA-N. The full InChI is InChI=1S/C23H25ClN6O.C20H23Cl2N7O.C20H24ClN7OS.C19H23ClN6S.6H2S/c1-14-20(17-5-3-4-16(12-25)19(17)24)30-18(6-9-27-30)22(28-14)29-10-7-23(8-11-29)13-31-15(2)21(23)26;1-11-16(23)20(9-30-11)5-7-28(8-6-20)19-18-25-10-26-29(18)15(17(24)27-19)12-3-2-4-13(21)14(12)22;1-11-17(22)20(10-29-11)3-6-28(7-4-20)19-12-8-26-27-16(12)14(9-25-19)30-13-2-5-24-18(23)15(13)21;1-11-16(27-13-4-7-22-17(21)14(13)20)15-12(10-23-25-15)18(24-11)26-8-5-19(2,3)6-9-26;;;;;;/h3-6,9,15,21H,7-8,10-11,13,26H2,1-2H3;2-4,10-11,16H,5-9,23-24H2,1H3;2,5,8-9,11,17H,3-4,6-7,10,22H2,1H3,(H2,23,24)(H,26,27);4,7,10H,5-6,8-9H2,1-3H3,(H2,21,22)(H,23,25);6*1H2/t15-,21+;11-,16+;11-,17+;;;;;;;/m000......./s1.

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

(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane has a molecular weight of 1938.74 g/mol, XLogP of 15.00, 10 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane is sourced from PubChem (CID 158168901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).