N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide

C95H108N24O10S3 — CID 158772153

About N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide

N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide (PubChem CID 158772153) has the molecular formula C95H108N24O10S3 and a molecular weight of 1842.27 g/mol. Its IUPAC name is N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide
• PubChem CID: 158772153
• Molecular Formula: C95H108N24O10S3
• Molecular Weight: 1842.27 g/mol
• Exact Mass: 1840.78
• IUPAC Name: N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide
• SMILES: C/C=C/C(=O)CCC(=O)NCCCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.C=CC(=O)NCCCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.C=CC(=O)NCc1ccc(C(=O)N2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)cc1
• InChI: InChI=1S/C33H40N8O4S.C33H34N8O3S.C29H34N8O3S/c1-2-5-23(42)9-10-29(43)34-11-4-8-30(44)40-14-12-39(13-15-40)22-24-20-28-31(46-24)33(41-16-18-45-19-17-41)37-32(36-28)25-6-3-7-27-26(25)21-35-38-27;1-2-29(42)34-19-22-6-8-23(9-7-22)33(43)41-12-10-39(11-13-41)21-24-18-28-30(45-24)32(40-14-16-44-17-15-40)37-31(36-28)25-4-3-5-27-26(25)20-35-38-27;1-2-25(38)30-8-4-7-26(39)36-11-9-35(10-12-36)19-20-17-24-27(41-20)29(37-13-15-40-16-14-37)33-28(32-24)21-5-3-6-23-22(21)18-31-34-23/h2-3,5-7,20-21H,4,8-19,22H2,1H3,(H,34,43)(H,35,38);2-9,18,20H,1,10-17,19,21H2,(H,34,42)(H,35,38);2-3,5-6,17-18H,1,4,7-16,19H2,(H,30,38)(H,31,34)/b5-2+
• InChIKey: IPZSTYDKKQPFTF-OPIVVEOKSA-N
• XLogP: 10.17
• TPSA: 375.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.27
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide?

The IUPAC name of N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide (CID 158772153) is N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide.

What is the SMILES notation for N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide?

The canonical SMILES for N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide is C/C=C/C(=O)CCC(=O)NCCCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.C=CC(=O)NCCCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.C=CC(=O)NCc1ccc(C(=O)N2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)cc1.

What is the InChIKey of N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide?

The InChIKey is IPZSTYDKKQPFTF-OPIVVEOKSA-N. The full InChI is InChI=1S/C33H40N8O4S.C33H34N8O3S.C29H34N8O3S/c1-2-5-23(42)9-10-29(43)34-11-4-8-30(44)40-14-12-39(13-15-40)22-24-20-28-31(46-24)33(41-16-18-45-19-17-41)37-32(36-28)25-6-3-7-27-26(25)21-35-38-27;1-2-29(42)34-19-22-6-8-23(9-7-22)33(43)41-12-10-39(11-13-41)21-24-18-28-30(45-24)32(40-14-16-44-17-15-40)37-31(36-28)25-4-3-5-27-26(25)20-35-38-27;1-2-25(38)30-8-4-7-26(39)36-11-9-35(10-12-36)19-20-17-24-27(41-20)29(37-13-15-40-16-14-37)33-28(32-24)21-5-3-6-23-22(21)18-31-34-23/h2-3,5-7,20-21H,4,8-19,22H2,1H3,(H,34,43)(H,35,38);2-9,18,20H,1,10-17,19,21H2,(H,34,42)(H,35,38);2-3,5-6,17-18H,1,4,7-16,19H2,(H,30,38)(H,31,34)/b5-2+;;.

What are the key properties of N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide?

N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide has a molecular weight of 1842.27 g/mol, XLogP of 10.17, 29 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]phenyl]methyl]prop-2-enamide;(E)-N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]-4-oxohept-5-enamide;N-[4-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-4-oxobutyl]prop-2-enamide is sourced from PubChem (CID 158772153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).