(2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol

C138H167ClF8N30O15 — CID 163916030

IUPAC(2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2ccc(F)cc2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(Cl)c2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)CO)c1)nn2C1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C28H35ClN6O3.3C28H34F2N6O3.C26H30F2N6O3/c1-4-30-26-13-24-23(15-31-26)27(18-14-32-34(16-18)17-25(36)28(2,3)37)33-35(24)20-8-10-21(11-9-20)38-22-7-5-6-19(29)12-22;1-4-31-26-12-23-21(14-32-26)27(17-13-33-35(15-17)16-25(37)28(2,3)38)34-36(23)19-6-8-20(9-7-19)39-24-10-5-18(29)11-22(24)30;2*1-4-31-25-12-22-20(14-32-25)27(17-13-33-35(15-17)16-24(37)28(2,3)38)34-36(22)18-8-10-19(11-9-18)39-23-7-5-6-21(29)26(23)30;1-2-29-25-10-23-21(12-30-25)26(16-11-31-33(13-16)14-19(36)15-35)32-34(23)18-4-6-20(7-5-18)37-24-8-3-17(27)9-22(24)28/h5-7,12-16,20-21,25,36-37H,4,8-11,17H2,1-3H3,(H,30,31);5,10-15,19-20,25,37-38H,4,6-9,16H2,1-3H3,(H,31,32);2*5-7,12-15,18-19,24,37-38H,4,8-11,16H2,1-3H3,(H,31,32);3,8-13,18-20,35-36H,2,4-7,14-15H2,1H3,(H,29,30)/t20?,21?,25-;19?,20?,25-;2*18?,19?,24-;18?,19-,20?/m11100/s1
InChIKeyQWHQHEKWPHZSFE-NFEIGCGKSA-N
MW2673.49 g/mol
LogP23.09
Rot. Bonds45

About (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol

(2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 163916030) has the molecular formula C138H167ClF8N30O15 and a molecular weight of 2673.49 g/mol. Its IUPAC name is (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID163916030
Molecular FormulaC138H167ClF8N30O15
Molecular Weight2673.49 g/mol
Exact Mass2671.28
IUPAC Name(2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2ccc(F)cc2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(Cl)c2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)CO)c1)nn2C1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C28H35ClN6O3.3C28H34F2N6O3.C26H30F2N6O3/c1-4-30-26-13-24-23(15-31-26)27(18-14-32-34(16-18)17-25(36)28(2,3)37)33-35(24)20-8-10-21(11-9-20)38-22-7-5-6-19(29)12-22;1-4-31-26-12-23-21(14-32-26)27(17-13-33-35(15-17)16-25(37)28(2,3)38)34-36(23)19-6-8-20(9-7-19)39-24-10-5-18(29)11-22(24)30;2*1-4-31-25-12-22-20(14-32-25)27(17-13-33-35(15-17)16-24(37)28(2,3)38)34-36(22)18-8-10-19(11-9-18)39-23-7-5-6-21(29)26(23)30;1-2-29-25-10-23-21(12-30-25)26(16-11-31-33(13-16)14-19(36)15-35)32-34(23)18-4-6-20(7-5-18)37-24-8-3-17(27)9-22(24)28/h5-7,12-16,20-21,25,36-37H,4,8-11,17H2,1-3H3,(H,30,31);5,10-15,19-20,25,37-38H,4,6-9,16H2,1-3H3,(H,31,32);2*5-7,12-15,18-19,24,37-38H,4,8-11,16H2,1-3H3,(H,31,32);3,8-13,18-20,35-36H,2,4-7,14-15H2,1H3,(H,29,30)/t20?,21?,25-;19?,20?,25-;2*18?,19?,24-;18?,19-,20?/m11100/s1
InChIKeyQWHQHEKWPHZSFE-NFEIGCGKSA-N
XLogP23.09
TPSA551.25 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds45
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002673.49
LogP ≤ 523.09
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Analyze (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol with MolForge

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Related Compounds

US11247990, Example 434
CID 138682854
US11247990, Example 240
CID 138682956
US11247990, Example 436
CID 138715282
US11247990, Example 437
CID 138715285
US11247990, Example 445
CID 138715346
US11247990, Example 446
CID 138715419
US11247990, Example 447
CID 138715623
US11247990, Example 448
CID 138715628
US11247990, Example 435
CID 162773717
US11247990, Example 441
CID 138715349
US11247990, Example 443
CID 138715350
US11247990, Example 422
CID 138715401

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (CID 163916030) is (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2ccc(F)cc2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(Cl)c2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)CO)c1)nn2C1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is QWHQHEKWPHZSFE-NFEIGCGKSA-N. The full InChI is InChI=1S/C28H35ClN6O3.3C28H34F2N6O3.C26H30F2N6O3/c1-4-30-26-13-24-23(15-31-26)27(18-14-32-34(16-18)17-25(36)28(2,3)37)33-35(24)20-8-10-21(11-9-20)38-22-7-5-6-19(29)12-22;1-4-31-26-12-23-21(14-32-26)27(17-13-33-35(15-17)16-25(37)28(2,3)38)34-36(23)19-6-8-20(9-7-19)39-24-10-5-18(29)11-22(24)30;2*1-4-31-25-12-22-20(14-32-25)27(17-13-33-35(15-17)16-24(37)28(2,3)38)34-36(22)18-8-10-19(11-9-18)39-23-7-5-6-21(29)26(23)30;1-2-29-25-10-23-21(12-30-25)26(16-11-31-33(13-16)14-19(36)15-35)32-34(23)18-4-6-20(7-5-18)37-24-8-3-17(27)9-22(24)28/h5-7,12-16,20-21,25,36-37H,4,8-11,17H2,1-3H3,(H,30,31);5,10-15,19-20,25,37-38H,4,6-9,16H2,1-3H3,(H,31,32);2*5-7,12-15,18-19,24,37-38H,4,8-11,16H2,1-3H3,(H,31,32);3,8-13,18-20,35-36H,2,4-7,14-15H2,1H3,(H,29,30)/t20?,21?,25-;19?,20?,25-;2*18?,19?,24-;18?,19-,20?/m11100/s1.
What are the key properties of (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 2673.49 g/mol, XLogP of 23.09, 45 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[1-[4-(3-chlorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,3-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2R)-1-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;(2S)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 163916030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).