1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol

C108H127Cl5N24O18S3 — CID 159919646

About 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol

1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol (PubChem CID 159919646) has the molecular formula C108H127Cl5N24O18S3 and a molecular weight of 2322.82 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
• PubChem CID: 159919646
• Molecular Formula: C108H127Cl5N24O18S3
• Molecular Weight: 2322.82 g/mol
• Exact Mass: 2318.74
• IUPAC Name: 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
• SMILES: CC(C)(C)OC(=O)n1ccc2c(Cl)nc(Cl)nc21.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)nc2c1ccn2C(=O)OC(C)(C)C.COc1cc(N2CCC(O)CC2)ccc1N.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccn(C(=O)OC(C)(C)C)c2n1.Clc1nc(Cl)c2cc[nH]c2n1
• InChI: InChI=1S/C32H40N6O6S.C27H32N6O4S.C20H23ClN4O4S.C12H18N2O2.C11H11Cl2N3O2.C6H3Cl2N3/c1-20(2)45(41,42)27-10-8-7-9-25(27)33-28-23-15-18-38(31(40)44-32(3,4)5)29(23)36-30(35-28)34-24-12-11-21(19-26(24)43-6)37-16-13-22(39)14-17-37;1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33;1-12(2)30(27,28)15-9-7-6-8-14(15)22-16-13-10-11-25(17(13)24-18(21)23-16)19(26)29-20(3,4)5;1-16-12-8-9(2-3-11(12)13)14-6-4-10(15)5-7-14;1-11(2,3)18-10(17)16-5-4-6-7(12)14-9(13)15-8(6)16;7-4-3-1-2-9-5(3)11-6(8)10-4/h7-12,15,18-20,22,39H,13-14,16-17H2,1-6H3,(H2,33,34,35,36);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);6-12H,1-5H3,(H,22,23,24);2-3,8,10,15H,4-7,13H2,1H3;4-5H,1-3H3;1-2H,(H,9,10,11)
• InChIKey: NYFPXDFIWGWAIP-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 540.86 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.82
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?

The IUPAC name of 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol (CID 159919646) is 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol.

What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?

The canonical SMILES for 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol is CC(C)(C)OC(=O)n1ccc2c(Cl)nc(Cl)nc21.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)nc2c1ccn2C(=O)OC(C)(C)C.COc1cc(N2CCC(O)CC2)ccc1N.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccn(C(=O)OC(C)(C)C)c2n1.Clc1nc(Cl)c2cc[nH]c2n1.

What is the InChIKey of 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?

The InChIKey is NYFPXDFIWGWAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O6S.C27H32N6O4S.C20H23ClN4O4S.C12H18N2O2.C11H11Cl2N3O2.C6H3Cl2N3/c1-20(2)45(41,42)27-10-8-7-9-25(27)33-28-23-15-18-38(31(40)44-32(3,4)5)29(23)36-30(35-28)34-24-12-11-21(19-26(24)43-6)37-16-13-22(39)14-17-37;1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33;1-12(2)30(27,28)15-9-7-6-8-14(15)22-16-13-10-11-25(17(13)24-18(21)23-16)19(26)29-20(3,4)5;1-16-12-8-9(2-3-11(12)13)14-6-4-10(15)5-7-14;1-11(2,3)18-10(17)16-5-4-6-7(12)14-9(13)15-8(6)16;7-4-3-1-2-9-5(3)11-6(8)10-4/h7-12,15,18-20,22,39H,13-14,16-17H2,1-6H3,(H2,33,34,35,36);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);6-12H,1-5H3,(H,22,23,24);2-3,8,10,15H,4-7,13H2,1H3;4-5H,1-3H3;1-2H,(H,9,10,11).

What are the key properties of 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?

1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol has a molecular weight of 2322.82 g/mol, XLogP of 22.27, 22 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol is sourced from PubChem (CID 159919646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).