2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol

C128H146N28O18S5 — CID 159623202

About 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol

2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol (PubChem CID 159623202) has the molecular formula C128H146N28O18S5 and a molecular weight of 2525.09 g/mol. Its IUPAC name is 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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: 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
• PubChem CID: 159623202
• Molecular Formula: C128H146N28O18S5
• Molecular Weight: 2525.09 g/mol
• Exact Mass: 2523.00
• IUPAC Name: 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccc(C(=O)NC(C)C)cc2)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1ccccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
• InChI: InChI=1S/C29H34N6O3.C27H32N6O4S.C26H30N6O4S.C24H27N5O4S2.C22H23N5O3S/c1-18(2)31-29(37)19-4-6-20(7-5-19)32-25-17-27(34-28-23(25)10-13-30-28)33-24-9-8-21(16-26(24)38-3)35-14-11-22(36)12-15-35;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;1-17(2)37(33,34)23-7-5-4-6-21(23)28-25-19-10-11-27-24(19)30-26(31-25)29-20-9-8-18(16-22(20)35-3)32-12-14-36-15-13-32;1-15(2)34(30,31)20-11-7-5-9-18(20)26-23-17-13-14-25-22(17)28-24(29-23)27-19-10-6-8-12-21(19)35(32,33)16(3)4;1-14(2)31(28,29)19-11-7-5-9-17(19)24-21-15-12-13-23-20(15)26-22(27-21)25-16-8-4-6-10-18(16)30-3/h4-10,13,16-18,22,36H,11-12,14-15H2,1-3H3,(H,31,37)(H3,30,32,33,34);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);4-11,16-17H,12-15H2,1-3H3,(H3,27,28,29,30,31);5-16H,1-4H3,(H3,25,26,27,28,29);4-14H,1-3H3,(H3,23,24,25,26,27)
• InChIKey: MODSGZWPWFUTRS-UHFFFAOYSA-N
• XLogP: 23.67
• TPSA: 611.39 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 40
• Rotatable Bonds: 39
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2525.09
LogP ≤ 5	23.67
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol (CID 159623202) is 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccc(C(=O)NC(C)C)cc2)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1ccccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.

What is the InChIKey of 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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 MODSGZWPWFUTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3.C27H32N6O4S.C26H30N6O4S.C24H27N5O4S2.C22H23N5O3S/c1-18(2)31-29(37)19-4-6-20(7-5-19)32-25-17-27(34-28-23(25)10-13-30-28)33-24-9-8-21(16-26(24)38-3)35-14-11-22(36)12-15-35;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;1-17(2)37(33,34)23-7-5-4-6-21(23)28-25-19-10-11-27-24(19)30-26(31-25)29-20-9-8-18(16-22(20)35-3)32-12-14-36-15-13-32;1-15(2)34(30,31)20-11-7-5-9-18(20)26-23-17-13-14-25-22(17)28-24(29-23)27-19-10-6-8-12-21(19)35(32,33)16(3)4;1-14(2)31(28,29)19-11-7-5-9-17(19)24-21-15-12-13-23-20(15)26-22(27-21)25-16-8-4-6-10-18(16)30-3/h4-10,13,16-18,22,36H,11-12,14-15H2,1-3H3,(H,31,37)(H3,30,32,33,34);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);4-11,16-17H,12-15H2,1-3H3,(H3,27,28,29,30,31);5-16H,1-4H3,(H3,25,26,27,28,29);4-14H,1-3H3,(H3,23,24,25,26,27).

What are the key properties of 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?

2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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 2525.09 g/mol, XLogP of 23.67, 39 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;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 159623202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).