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

C125H161Cl8N33O6S13 — CID 159528963

IUPAC(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
SMILESCC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3cn[nH]c23)CC1.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)c4nc[nH]c34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4cncc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)n4cncc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4occc34)CC2)[C@@H]1N.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1ccc2cn[nH]c2c1.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C23H27N7O.C21H23Cl2N5OS.2C21H23Cl2N5O.C21H24ClN5O2S.C18H21ClN6S.10H2S/c1-14-20(16-3-4-17-10-26-28-18(17)9-16)30-13-25-11-19(30)22(27-14)29-7-5-23(6-8-29)12-31-15(2)21(23)24;1-13-19(24)21(11-29-13)5-7-27(8-6-21)20-15-9-25-12-28(15)17(10-26-20)30-16-4-2-3-14(22)18(16)23;1-13-19(24)21(11-29-13)5-7-27(8-6-21)20-17-9-25-12-28(17)16(10-26-20)14-3-2-4-15(22)18(14)23;1-12-19(24)21(10-29-12)5-7-28(8-6-21)20-18-17(26-11-27-18)14(9-25-20)13-3-2-4-15(22)16(13)23;1-12-18(23)21(11-29-12)4-7-27(8-5-21)20-13-3-9-28-17(13)15(10-26-20)30-14-2-6-25-19(24)16(14)22;1-18(2)4-7-25(8-5-18)17-15-11(9-23-24-15)13(10-22-17)26-12-3-6-21-16(20)14(12)19;;;;;;;;;;/h3-4,9-11,13,15,21H,5-8,12,24H2,1-2H3,(H,26,28);2-4,9-10,12-13,19H,5-8,11,24H2,1H3;2-4,9-10,12-13,19H,5-8,11,24H2,1H3;2-4,9,11-12,19H,5-8,10,24H2,1H3,(H,26,27);2-3,6,9-10,12,18H,4-5,7-8,11,23H2,1H3,(H2,24,25);3,6,9-10H,4-5,7-8H2,1-2H3,(H2,20,21)(H,23,24);10*1H2/t15-,21+;2*13-,19+;12-,19+;12-,18+;;;;;;;;;;;/m00000.........../s1
InChIKeyMCTAEKDUEUELLW-OPENBXPSSA-N
MW2922.38 g/mol
LogP25.17
Rot. Bonds15

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

(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (PubChem CID 159528963) has the molecular formula C125H161Cl8N33O6S13 and a molecular weight of 2922.38 g/mol. Its IUPAC name is (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

Molecular Properties

Compound Name(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
PubChem CID159528963
Molecular FormulaC125H161Cl8N33O6S13
Molecular Weight2922.38 g/mol
Exact Mass2915.72
IUPAC Name(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
SMILESCC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3cn[nH]c23)CC1.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)c4nc[nH]c34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4cncc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)n4cncc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4occc34)CC2)[C@@H]1N.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1ccc2cn[nH]c2c1.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C23H27N7O.C21H23Cl2N5OS.2C21H23Cl2N5O.C21H24ClN5O2S.C18H21ClN6S.10H2S/c1-14-20(16-3-4-17-10-26-28-18(17)9-16)30-13-25-11-19(30)22(27-14)29-7-5-23(6-8-29)12-31-15(2)21(23)24;1-13-19(24)21(11-29-13)5-7-27(8-6-21)20-15-9-25-12-28(15)17(10-26-20)30-16-4-2-3-14(22)18(16)23;1-13-19(24)21(11-29-13)5-7-27(8-6-21)20-17-9-25-12-28(17)16(10-26-20)14-3-2-4-15(22)18(14)23;1-12-19(24)21(10-29-12)5-7-28(8-6-21)20-18-17(26-11-27-18)14(9-25-20)13-3-2-4-15(22)16(13)23;1-12-18(23)21(11-29-12)4-7-27(8-5-21)20-13-3-9-28-17(13)15(10-26-20)30-14-2-6-25-19(24)16(14)22;1-18(2)4-7-25(8-5-18)17-15-11(9-23-24-15)13(10-22-17)26-12-3-6-21-16(20)14(12)19;;;;;;;;;;/h3-4,9-11,13,15,21H,5-8,12,24H2,1-2H3,(H,26,28);2-4,9-10,12-13,19H,5-8,11,24H2,1H3;2-4,9-10,12-13,19H,5-8,11,24H2,1H3;2-4,9,11-12,19H,5-8,10,24H2,1H3,(H,26,27);2-3,6,9-10,12,18H,4-5,7-8,11,23H2,1H3,(H2,24,25);3,6,9-10H,4-5,7-8H2,1-2H3,(H2,20,21)(H,23,24);10*1H2/t15-,21+;2*13-,19+;12-,19+;12-,18+;;;;;;;;;;;/m00000.........../s1
InChIKeyMCTAEKDUEUELLW-OPENBXPSSA-N
XLogP25.17
TPSA501.93 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds15
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002922.38
LogP ≤ 525.17
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane with MolForge

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Launch Full Analysis

Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The IUPAC name of (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (CID 159528963) is (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.
What is the SMILES notation for (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The canonical SMILES for (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is CC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3cn[nH]c23)CC1.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)c4nc[nH]c34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4cncc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)n4cncc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4occc34)CC2)[C@@H]1N.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1ccc2cn[nH]c2c1.S.S.S.S.S.S.S.S.S.S.
What is the InChIKey of (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The InChIKey is MCTAEKDUEUELLW-OPENBXPSSA-N. The full InChI is InChI=1S/C23H27N7O.C21H23Cl2N5OS.2C21H23Cl2N5O.C21H24ClN5O2S.C18H21ClN6S.10H2S/c1-14-20(16-3-4-17-10-26-28-18(17)9-16)30-13-25-11-19(30)22(27-14)29-7-5-23(6-8-29)12-31-15(2)21(23)24;1-13-19(24)21(11-29-13)5-7-27(8-6-21)20-15-9-25-12-28(15)17(10-26-20)30-16-4-2-3-14(22)18(16)23;1-13-19(24)21(11-29-13)5-7-27(8-6-21)20-17-9-25-12-28(17)16(10-26-20)14-3-2-4-15(22)18(14)23;1-12-19(24)21(10-29-12)5-7-28(8-6-21)20-18-17(26-11-27-18)14(9-25-20)13-3-2-4-15(22)16(13)23;1-12-18(23)21(11-29-12)4-7-27(8-5-21)20-13-3-9-28-17(13)15(10-26-20)30-14-2-6-25-19(24)16(14)22;1-18(2)4-7-25(8-5-18)17-15-11(9-23-24-15)13(10-22-17)26-12-3-6-21-16(20)14(12)19;;;;;;;;;;/h3-4,9-11,13,15,21H,5-8,12,24H2,1-2H3,(H,26,28);2-4,9-10,12-13,19H,5-8,11,24H2,1H3;2-4,9-10,12-13,19H,5-8,11,24H2,1H3;2-4,9,11-12,19H,5-8,10,24H2,1H3,(H,26,27);2-3,6,9-10,12,18H,4-5,7-8,11,23H2,1H3,(H2,24,25);3,6,9-10H,4-5,7-8H2,1-2H3,(H2,20,21)(H,23,24);10*1H2/t15-,21+;2*13-,19+;12-,19+;12-,18+;;;;;;;;;;;/m00000.........../s1.
What are the key properties of (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane has a molecular weight of 2922.38 g/mol, XLogP of 25.17, 15 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[7-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[5,4-c]pyridin-4-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)imidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is sourced from PubChem (CID 159528963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).