[(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C101H122N14O17S — CID 157174790

IUPAC[(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4cn[nH]c4)cc4nn(C)c(C)c34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4cnn([C@H]5CO[C@@H]6CCCO[C@@H]65)c4)cc4nn(C)c(C)c34)CC2=O)cc1.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn([C@H]4CO[C@@H]5CCCO[C@@H]54)c3)cc2nn1C.Cc1ccc(S(=O)(=O)O[C@@H]2CO[C@@H]3CCCO[C@@H]32)cc1
InChIInChI=1S/C34H41N5O5.C27H31N5O3.C26H32N4O4.C14H18O5S/c1-20(23-8-10-27(41-5)11-9-23)38-17-25(15-32(38)40)22(3)44-31-14-24(13-28-33(31)21(2)37(4)36-28)26-16-35-39(18-26)29-19-43-30-7-6-12-42-34(29)30;1-16(19-6-8-23(34-5)9-7-19)32-15-21(12-26(32)33)18(3)35-25-11-20(22-13-28-29-14-22)10-24-27(25)17(2)31(4)30-24;1-15-25-21(28-29(15)3)10-18(11-24(25)34-16(2)17-6-7-20(31)9-17)19-12-27-30(13-19)22-14-33-23-5-4-8-32-26(22)23;1-10-4-6-11(7-5-10)20(15,16)19-13-9-18-12-3-2-8-17-14(12)13/h8-11,13-14,16,18,20,22,25,29-30,34H,6-7,12,15,17,19H2,1-5H3;6-11,13-14,16,18,21H,12,15H2,1-5H3,(H,28,29);10-13,16-17,22-23,26H,4-9,14H2,1-3H3;4-7,12-14H,2-3,8-9H2,1H3/t20-,22+,25+,29-,30+,34+;16-,18+,21+;16-,17+,22+,23-,26-;12-,13-,14+/m0011/s1
InChIKeyANWPFLWDDHGIBB-VWBDBNFSSA-N
MW1836.23 g/mol
LogP15.55
Rot. Bonds23

About [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

[(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 157174790) has the molecular formula C101H122N14O17S and a molecular weight of 1836.23 g/mol. Its IUPAC name is [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name[(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID157174790
Molecular FormulaC101H122N14O17S
Molecular Weight1836.23 g/mol
Exact Mass1834.88
IUPAC Name[(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4cn[nH]c4)cc4nn(C)c(C)c34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4cnn([C@H]5CO[C@@H]6CCCO[C@@H]65)c4)cc4nn(C)c(C)c34)CC2=O)cc1.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn([C@H]4CO[C@@H]5CCCO[C@@H]54)c3)cc2nn1C.Cc1ccc(S(=O)(=O)O[C@@H]2CO[C@@H]3CCCO[C@@H]32)cc1
InChIInChI=1S/C34H41N5O5.C27H31N5O3.C26H32N4O4.C14H18O5S/c1-20(23-8-10-27(41-5)11-9-23)38-17-25(15-32(38)40)22(3)44-31-14-24(13-28-33(31)21(2)37(4)36-28)26-16-35-39(18-26)29-19-43-30-7-6-12-42-34(29)30;1-16(19-6-8-23(34-5)9-7-19)32-15-21(12-26(32)33)18(3)35-25-11-20(22-13-28-29-14-22)10-24-27(25)17(2)31(4)30-24;1-15-25-21(28-29(15)3)10-18(11-24(25)34-16(2)17-6-7-20(31)9-17)19-12-27-30(13-19)22-14-33-23-5-4-8-32-26(22)23;1-10-4-6-11(7-5-10)20(15,16)19-13-9-18-12-3-2-8-17-14(12)13/h8-11,13-14,16,18,20,22,25,29-30,34H,6-7,12,15,17,19H2,1-5H3;6-11,13-14,16,18,21H,12,15H2,1-5H3,(H,28,29);10-13,16-17,22-23,26H,4-9,14H2,1-3H3;4-7,12-14H,2-3,8-9H2,1H3/t20-,22+,25+,29-,30+,34+;16-,18+,21+;16-,17+,22+,23-,26-;12-,13-,14+/m0011/s1
InChIKeyANWPFLWDDHGIBB-VWBDBNFSSA-N
XLogP15.55
TPSA320.37 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.23
LogP ≤ 515.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;[(4S)-2,2-dimethyloxan-4-yl] 4-methylbenzenesulfonate;(4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 158199108
(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158489235
(3R)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158489238
[(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 159676848
(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;[(4S)-2,2-dimethyloxan-4-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 161124929

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 157174790) is [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4cn[nH]c4)cc4nn(C)c(C)c34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4cnn([C@H]5CO[C@@H]6CCCO[C@@H]65)c4)cc4nn(C)c(C)c34)CC2=O)cc1.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn([C@H]4CO[C@@H]5CCCO[C@@H]54)c3)cc2nn1C.Cc1ccc(S(=O)(=O)O[C@@H]2CO[C@@H]3CCCO[C@@H]32)cc1.
What is the InChIKey of [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is ANWPFLWDDHGIBB-VWBDBNFSSA-N. The full InChI is InChI=1S/C34H41N5O5.C27H31N5O3.C26H32N4O4.C14H18O5S/c1-20(23-8-10-27(41-5)11-9-23)38-17-25(15-32(38)40)22(3)44-31-14-24(13-28-33(31)21(2)37(4)36-28)26-16-35-39(18-26)29-19-43-30-7-6-12-42-34(29)30;1-16(19-6-8-23(34-5)9-7-19)32-15-21(12-26(32)33)18(3)35-25-11-20(22-13-28-29-14-22)10-24-27(25)17(2)31(4)30-24;1-15-25-21(28-29(15)3)10-18(11-24(25)34-16(2)17-6-7-20(31)9-17)19-12-27-30(13-19)22-14-33-23-5-4-8-32-26(22)23;1-10-4-6-11(7-5-10)20(15,16)19-13-9-18-12-3-2-8-17-14(12)13/h8-11,13-14,16,18,20,22,25,29-30,34H,6-7,12,15,17,19H2,1-5H3;6-11,13-14,16,18,21H,12,15H2,1-5H3,(H,28,29);10-13,16-17,22-23,26H,4-9,14H2,1-3H3;4-7,12-14H,2-3,8-9H2,1H3/t20-,22+,25+,29-,30+,34+;16-,18+,21+;16-,17+,22+,23-,26-;12-,13-,14+/m0011/s1.
What are the key properties of [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
[(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 1836.23 g/mol, XLogP of 15.55, 23 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 4-methylbenzenesulfonate;(3S)-3-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(4R)-4-[(1R)-1-[6-[1-[(3S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2,3-dimethyl-6-(1H-pyrazol-4-yl)indazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 157174790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).