2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide

C102H133N25O11S4 — CID 123703366

About 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide

2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide (PubChem CID 123703366) has the molecular formula C102H133N25O11S4 and a molecular weight of 2013.62 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide
• PubChem CID: 123703366
• Molecular Formula: C102H133N25O11S4
• Molecular Weight: 2013.62 g/mol
• Exact Mass: 2011.95
• IUPAC Name: 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide
• SMILES: C=C(OC)C1(c2ccccc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.CC(=O)NCC1(c2ccccc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.CN(C)CC(=O)NCC1(c2ccccc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.O=S1CCc2nc(N3CCC(c4nc5ncccc5[nH]4)CC3)nc(NC3CCOCC3)c21
• InChI: InChI=1S/C28H39N7O3S.C26H34N6O3S.C26H33N5O3S.C22H27N7O2S/c1-33(2)18-23(36)29-19-28(20-7-5-4-6-8-20)12-14-35(15-13-28)27-31-22-11-16-39(38)25(22)26(32-27)30-21-9-10-24(37)34(3)17-21;1-18(33)27-17-26(19-6-4-3-5-7-19)11-13-32(14-12-26)25-29-21-10-15-36(35)23(21)24(30-25)28-20-8-9-22(34)31(2)16-20;1-18(34-3)26(19-7-5-4-6-8-19)12-14-31(15-13-26)25-28-21-11-16-35(33)23(21)24(29-25)27-20-9-10-22(32)30(2)17-20;30-32-13-7-16-18(32)21(24-15-5-11-31-12-6-15)28-22(26-16)29-9-3-14(4-10-29)19-25-17-2-1-8-23-20(17)27-19/h4-8,21H,9-19H2,1-3H3,(H,29,36)(H,30,31,32);3-7,20H,8-17H2,1-2H3,(H,27,33)(H,28,29,30);4-8,20H,1,9-17H2,2-3H3,(H,27,28,29);1-2,8,14-15H,3-7,9-13H2,(H,23,25,27)(H,24,26,28)/t21-,39?;20-,36?;20-,35?;/m000./s1
• InChIKey: IUJWDXKVGMCUDZ-UBFVSYBRSA-N
• XLogP: 8.49
• TPSA: 414.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.62
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide (CID 123703366) is 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide is C=C(OC)C1(c2ccccc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.CC(=O)NCC1(c2ccccc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.CN(C)CC(=O)NCC1(c2ccccc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.O=S1CCc2nc(N3CCC(c4nc5ncccc5[nH]4)CC3)nc(NC3CCOCC3)c21.

What is the InChIKey of 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide?

The InChIKey is IUJWDXKVGMCUDZ-UBFVSYBRSA-N. The full InChI is InChI=1S/C28H39N7O3S.C26H34N6O3S.C26H33N5O3S.C22H27N7O2S/c1-33(2)18-23(36)29-19-28(20-7-5-4-6-8-20)12-14-35(15-13-28)27-31-22-11-16-39(38)25(22)26(32-27)30-21-9-10-24(37)34(3)17-21;1-18(33)27-17-26(19-6-4-3-5-7-19)11-13-32(14-12-26)25-29-21-10-15-36(35)23(21)24(30-25)28-20-8-9-22(34)31(2)16-20;1-18(34-3)26(19-7-5-4-6-8-19)12-14-31(15-13-26)25-28-21-11-16-35(33)23(21)24(29-25)27-20-9-10-22(32)30(2)17-20;30-32-13-7-16-18(32)21(24-15-5-11-31-12-6-15)28-22(26-16)29-9-3-14(4-10-29)19-25-17-2-1-8-23-20(17)27-19/h4-8,21H,9-19H2,1-3H3,(H,29,36)(H,30,31,32);3-7,20H,8-17H2,1-2H3,(H,27,33)(H,28,29,30);4-8,20H,1,9-17H2,2-3H3,(H,27,28,29);1-2,8,14-15H,3-7,9-13H2,(H,23,25,27)(H,24,26,28)/t21-,39?;20-,36?;20-,35?;/m000./s1.

What are the key properties of 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide?

2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide has a molecular weight of 2013.62 g/mol, XLogP of 8.49, 24 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 123703366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).