2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid

C110H135Cl8F3N24O9 — CID 160902961

IUPAC2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid
SMILESCOC(CC1CCCN1C1CCN(c2cnc3c(C)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CC1C)C(=O)O.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4C4CC4C(=O)O)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CC(F)(F)C(=O)O)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CC(F)C(=O)O)C(C)C3)cnc12
InChIInChI=1S/C28H36Cl2N6O3.C28H34Cl2N6O2.C27H32Cl2F2N6O2.C27H33Cl2FN6O2/c1-16-15-34(11-9-23(16)35-10-5-6-20(35)13-24(39-4)28(37)38)25-14-31-26-17(2)33-36(27(26)32-25)18(3)21-8-7-19(29)12-22(21)30;1-15-14-34(10-8-23(15)35-9-4-5-24(35)20-12-21(20)28(37)38)25-13-31-26-16(2)33-36(27(26)32-25)17(3)19-7-6-18(29)11-22(19)30;1-15-14-35(10-8-22(15)36-9-4-5-19(36)12-27(30,31)26(38)39)23-13-32-24-16(2)34-37(25(24)33-23)17(3)20-7-6-18(28)11-21(20)29;1-15-14-34(10-8-23(15)35-9-4-5-19(35)12-22(30)27(37)38)24-13-31-25-16(2)33-36(26(25)32-24)17(3)20-7-6-18(28)11-21(20)29/h7-8,12,14,16,18,20,23-24H,5-6,9-11,13,15H2,1-4H3,(H,37,38);6-7,11,13,15,17,20-21,23-24H,4-5,8-10,12,14H2,1-3H3,(H,37,38);6-7,11,13,15,17,19,22H,4-5,8-10,12,14H2,1-3H3,(H,38,39);6-7,11,13,15,17,19,22-23H,4-5,8-10,12,14H2,1-3H3,(H,37,38)
InChIKeySPTJAXBCGXESJD-UHFFFAOYSA-N
MW2278.07 g/mol
LogP22.05
Rot. Bonds28

About 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid

2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid (PubChem CID 160902961) has the molecular formula C110H135Cl8F3N24O9 and a molecular weight of 2278.07 g/mol. Its IUPAC name is 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid.

Molecular Properties

Compound Name2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid
PubChem CID160902961
Molecular FormulaC110H135Cl8F3N24O9
Molecular Weight2278.07 g/mol
Exact Mass2272.83
IUPAC Name2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid
SMILESCOC(CC1CCCN1C1CCN(c2cnc3c(C)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CC1C)C(=O)O.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4C4CC4C(=O)O)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CC(F)(F)C(=O)O)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CC(F)C(=O)O)C(C)C3)cnc12
InChIInChI=1S/C28H36Cl2N6O3.C28H34Cl2N6O2.C27H32Cl2F2N6O2.C27H33Cl2FN6O2/c1-16-15-34(11-9-23(16)35-10-5-6-20(35)13-24(39-4)28(37)38)25-14-31-26-17(2)33-36(27(26)32-25)18(3)21-8-7-19(29)12-22(21)30;1-15-14-34(10-8-23(15)35-9-4-5-24(35)20-12-21(20)28(37)38)25-13-31-26-16(2)33-36(27(26)32-25)17(3)19-7-6-18(29)11-22(19)30;1-15-14-35(10-8-22(15)36-9-4-5-19(36)12-27(30,31)26(38)39)23-13-32-24-16(2)34-37(25(24)33-23)17(3)20-7-6-18(28)11-21(20)29;1-15-14-34(10-8-23(15)35-9-4-5-19(35)12-22(30)27(37)38)24-13-31-25-16(2)33-36(26(25)32-24)17(3)20-7-6-18(28)11-21(20)29/h7-8,12,14,16,18,20,23-24H,5-6,9-11,13,15H2,1-4H3,(H,37,38);6-7,11,13,15,17,20-21,23-24H,4-5,8-10,12,14H2,1-3H3,(H,37,38);6-7,11,13,15,17,19,22H,4-5,8-10,12,14H2,1-3H3,(H,38,39);6-7,11,13,15,17,19,22-23H,4-5,8-10,12,14H2,1-3H3,(H,37,38)
InChIKeySPTJAXBCGXESJD-UHFFFAOYSA-N
XLogP22.05
TPSA358.75 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002278.07
LogP ≤ 522.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid with MolForge

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Related Compounds

3-[4-[2-[6-[4-[2-(2-carboxy-2-fluoroethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazin-1-yl]-2-(2,4-dichlorophenyl)ethyl]-1-[1-[1-[2-[5-(2-carboxy-2-hydroxyethyl)-1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-3-yl]-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid
CID 134341288
methyl 3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoate
CID 134341409
2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
CID 134335281
3-[1-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-[(2,2,2-trifluoroacetyl)oxymethyl]piperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid
CID 134339237
3-[1-[1-[1-[1-(4-chloro-2-methylphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;hydrochloride
CID 162180933
3-[1-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-[(2,2,2-trifluoroacetyl)oxymethyl]piperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid
CID 134339488
[(2S)-1-[(3R)-1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol
CID 134335342
2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]ethanamine
CID 134335276
acetic acid;(2S)-1-[(3R,4S)-1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 142303165
2-[(2S)-1-[(3R)-1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134335343
2-[1-[(3R,4S)-1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]ethanesulfonamide;hydrochloride
CID 134325080
2-[(2S)-1-[(3S,4R)-1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]ethanesulfonamide;hydrochloride
CID 134325069

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid?
The IUPAC name of 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid (CID 160902961) is 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid.
What is the SMILES notation for 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid?
The canonical SMILES for 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid is COC(CC1CCCN1C1CCN(c2cnc3c(C)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CC1C)C(=O)O.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4C4CC4C(=O)O)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CC(F)(F)C(=O)O)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CC(F)C(=O)O)C(C)C3)cnc12.
What is the InChIKey of 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid?
The InChIKey is SPTJAXBCGXESJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Cl2N6O3.C28H34Cl2N6O2.C27H32Cl2F2N6O2.C27H33Cl2FN6O2/c1-16-15-34(11-9-23(16)35-10-5-6-20(35)13-24(39-4)28(37)38)25-14-31-26-17(2)33-36(27(26)32-25)18(3)21-8-7-19(29)12-22(21)30;1-15-14-34(10-8-23(15)35-9-4-5-24(35)20-12-21(20)28(37)38)25-13-31-26-16(2)33-36(27(26)32-25)17(3)19-7-6-18(29)11-22(19)30;1-15-14-35(10-8-22(15)36-9-4-5-19(36)12-27(30,31)26(38)39)23-13-32-24-16(2)34-37(25(24)33-23)17(3)20-7-6-18(28)11-21(20)29;1-15-14-34(10-8-23(15)35-9-4-5-19(35)12-22(30)27(37)38)24-13-31-25-16(2)33-36(26(25)32-24)17(3)20-7-6-18(28)11-21(20)29/h7-8,12,14,16,18,20,23-24H,5-6,9-11,13,15H2,1-4H3,(H,37,38);6-7,11,13,15,17,20-21,23-24H,4-5,8-10,12,14H2,1-3H3,(H,37,38);6-7,11,13,15,17,19,22H,4-5,8-10,12,14H2,1-3H3,(H,38,39);6-7,11,13,15,17,19,22-23H,4-5,8-10,12,14H2,1-3H3,(H,37,38).
What are the key properties of 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid?
2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid has a molecular weight of 2278.07 g/mol, XLogP of 22.05, 28 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]cyclopropane-1-carboxylic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2,2-difluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-fluoropropanoic acid;3-[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]-2-methoxypropanoic acid is sourced from PubChem (CID 160902961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).