benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C150H178Cl4N26O14S3 — CID 159466412

IUPACbenzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC.CC(C)(C)OC(=O)N1CCC[C@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@H](NCCc2ccccc2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCN(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCN(C(=O)OCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCNC4)ncnc32)cc1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CCC[C@H](N(CCc2ccccc2)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C34H34Cl2N6O3S.C34H35N5O4S.C27H28Cl2N6O.C26H29N5O2S.C18H28N2O2.C10H20N2O2.CH4/c1-24-9-11-30(12-10-24)46(44,45)42-17-14-31-33(38-23-39-34(31)42)41(16-13-25-6-3-2-4-7-25)29-8-5-15-40(22-29)32(43)21-37-28-19-26(35)18-27(36)20-28;1-26-14-16-30(17-15-26)44(41,42)39-22-19-31-32(35-25-36-33(31)39)38(21-18-27-9-4-2-5-10-27)29-13-8-20-37(23-29)34(40)43-24-28-11-6-3-7-12-28;28-20-13-21(29)15-22(14-20)31-16-25(36)34-11-4-7-23(17-34)35(12-9-19-5-2-1-3-6-19)27-24-8-10-30-26(24)32-18-33-27;1-20-9-11-23(12-10-20)34(32,33)31-17-14-24-25(28-19-29-26(24)31)30(22-8-5-15-27-18-22)16-13-21-6-3-2-4-7-21;1-18(2,3)22-17(21)20-13-7-10-16(14-20)19-12-11-15-8-5-4-6-9-15;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;/h2-4,6-7,9-12,14,17-20,23,29,37H,5,8,13,15-16,21-22H2,1H3;2-7,9-12,14-17,19,22,25,29H,8,13,18,20-21,23-24H2,1H3;1-3,5-6,8,10,13-15,18,23,31H,4,7,9,11-12,16-17H2,(H,30,32,33);2-4,6-7,9-12,14,17,19,22,27H,5,8,13,15-16,18H2,1H3;4-6,8-9,16,19H,7,10-14H2,1-3H3;8H,4-7,11H2,1-3H3;1H4/t2*29-;23-;22-;16-;8-;/m000000./s1
InChIKeyLVFXJKPKNXUDDL-AJLDMBABSA-N
MW2807.25 g/mol
LogP26.66
Rot. Bonds38

About benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine

benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 159466412) has the molecular formula C150H178Cl4N26O14S3 and a molecular weight of 2807.25 g/mol. Its IUPAC name is benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Namebenzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID159466412
Molecular FormulaC150H178Cl4N26O14S3
Molecular Weight2807.25 g/mol
Exact Mass2803.19
IUPAC Namebenzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC.CC(C)(C)OC(=O)N1CCC[C@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@H](NCCc2ccccc2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCN(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCN(C(=O)OCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCNC4)ncnc32)cc1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CCC[C@H](N(CCc2ccccc2)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C34H34Cl2N6O3S.C34H35N5O4S.C27H28Cl2N6O.C26H29N5O2S.C18H28N2O2.C10H20N2O2.CH4/c1-24-9-11-30(12-10-24)46(44,45)42-17-14-31-33(38-23-39-34(31)42)41(16-13-25-6-3-2-4-7-25)29-8-5-15-40(22-29)32(43)21-37-28-19-26(35)18-27(36)20-28;1-26-14-16-30(17-15-26)44(41,42)39-22-19-31-32(35-25-36-33(31)39)38(21-18-27-9-4-2-5-10-27)29-13-8-20-37(23-29)34(40)43-24-28-11-6-3-7-12-28;28-20-13-21(29)15-22(14-20)31-16-25(36)34-11-4-7-23(17-34)35(12-9-19-5-2-1-3-6-19)27-24-8-10-30-26(24)32-18-33-27;1-20-9-11-23(12-10-20)34(32,33)31-17-14-24-25(28-19-29-26(24)31)30(22-8-5-15-27-18-22)16-13-21-6-3-2-4-7-21;1-18(2,3)22-17(21)20-13-7-10-16(14-20)19-12-11-15-8-5-4-6-9-15;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;/h2-4,6-7,9-12,14,17-20,23,29,37H,5,8,13,15-16,21-22H2,1H3;2-7,9-12,14-17,19,22,25,29H,8,13,18,20-21,23-24H2,1H3;1-3,5-6,8,10,13-15,18,23,31H,4,7,9,11-12,16-17H2,(H,30,32,33);2-4,6-7,9-12,14,17,19,22,27H,5,8,13,15-16,18H2,1H3;4-6,8-9,16,19H,7,10-14H2,1-3H3;8H,4-7,11H2,1-3H3;1H4/t2*29-;23-;22-;16-;8-;/m000000./s1
InChIKeyLVFXJKPKNXUDDL-AJLDMBABSA-N
XLogP26.66
TPSA452.46 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002807.25
LogP ≤ 526.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 159466412) is benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine is C.CC(C)(C)OC(=O)N1CCC[C@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@H](NCCc2ccccc2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCN(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCN(C(=O)OCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)[C@H]4CCCNC4)ncnc32)cc1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CCC[C@H](N(CCc2ccccc2)c2ncnc3[nH]ccc23)C1.
What is the InChIKey of benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LVFXJKPKNXUDDL-AJLDMBABSA-N. The full InChI is InChI=1S/C34H34Cl2N6O3S.C34H35N5O4S.C27H28Cl2N6O.C26H29N5O2S.C18H28N2O2.C10H20N2O2.CH4/c1-24-9-11-30(12-10-24)46(44,45)42-17-14-31-33(38-23-39-34(31)42)41(16-13-25-6-3-2-4-7-25)29-8-5-15-40(22-29)32(43)21-37-28-19-26(35)18-27(36)20-28;1-26-14-16-30(17-15-26)44(41,42)39-22-19-31-32(35-25-36-33(31)39)38(21-18-27-9-4-2-5-10-27)29-13-8-20-37(23-29)34(40)43-24-28-11-6-3-7-12-28;28-20-13-21(29)15-22(14-20)31-16-25(36)34-11-4-7-23(17-34)35(12-9-19-5-2-1-3-6-19)27-24-8-10-30-26(24)32-18-33-27;1-20-9-11-23(12-10-20)34(32,33)31-17-14-24-25(28-19-29-26(24)31)30(22-8-5-15-27-18-22)16-13-21-6-3-2-4-7-21;1-18(2,3)22-17(21)20-13-7-10-16(14-20)19-12-11-15-8-5-4-6-9-15;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;/h2-4,6-7,9-12,14,17-20,23,29,37H,5,8,13,15-16,21-22H2,1H3;2-7,9-12,14-17,19,22,25,29H,8,13,18,20-21,23-24H2,1H3;1-3,5-6,8,10,13-15,18,23,31H,4,7,9,11-12,16-17H2,(H,30,32,33);2-4,6-7,9-12,14,17,19,22,27H,5,8,13,15-16,18H2,1H3;4-6,8-9,16,19H,7,10-14H2,1-3H3;8H,4-7,11H2,1-3H3;1H4/t2*29-;23-;22-;16-;8-;/m000000./s1.
What are the key properties of benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2807.25 g/mol, XLogP of 26.66, 38 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159466412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).