N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide

C91H92N22O10S3 — CID 160790314

About N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide

N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide (PubChem CID 160790314) has the molecular formula C91H92N22O10S3 and a molecular weight of 1750.08 g/mol. Its IUPAC name is N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide
• PubChem CID: 160790314
• Molecular Formula: C91H92N22O10S3
• Molecular Weight: 1750.08 g/mol
• Exact Mass: 1748.65
• IUPAC Name: N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide
• SMILES: C=CC(=O)NCC(=O)NCc1ccc(-c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)cc1.C=CC(=O)Nc1ccc(N2CCN(C(=O)c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)CC2)cc1.Cn1ccnc1/C=C/C(=O)CCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
• InChI: InChI=1S/C32H35N9O3S.C30H30N6O4S.C29H27N7O3S/c1-38-10-9-33-28(38)7-5-22(42)6-8-29(43)40-13-11-39(12-14-40)21-23-19-27-30(45-23)32(41-15-17-44-18-16-41)36-31(35-27)24-3-2-4-26-25(24)20-34-37-26;1-2-26(38)31-21-6-8-22(9-7-21)34-10-12-36(13-11-34)30(39)25-19-24-27(41-25)29(35-14-16-40-17-15-35)33-28(32-24)20-4-3-5-23(37)18-20;1-2-25(37)31-17-26(38)30-15-18-6-8-19(9-7-18)24-14-23-27(40-24)29(36-10-12-39-13-11-36)34-28(33-23)20-4-3-5-22-21(20)16-32-35-22/h2-5,7,9-10,19-20H,6,8,11-18,21H2,1H3,(H,34,37);2-9,18-19,37H,1,10-17H2,(H,31,38);2-9,14,16H,1,10-13,15,17H2,(H,30,38)(H,31,37)(H,32,35)/b7-5+
• InChIKey: SBTAXBOJFVCBTK-WVKUUHRJSA-N
• XLogP: 11.16
• TPSA: 361.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1750.08
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide?

The IUPAC name of N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide (CID 160790314) is N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide.

What is the SMILES notation for N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide?

The canonical SMILES for N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)NCc1ccc(-c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)cc1.C=CC(=O)Nc1ccc(N2CCN(C(=O)c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)CC2)cc1.Cn1ccnc1/C=C/C(=O)CCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.

What is the InChIKey of N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide?

The InChIKey is SBTAXBOJFVCBTK-WVKUUHRJSA-N. The full InChI is InChI=1S/C32H35N9O3S.C30H30N6O4S.C29H27N7O3S/c1-38-10-9-33-28(38)7-5-22(42)6-8-29(43)40-13-11-39(12-14-40)21-23-19-27-30(45-23)32(41-15-17-44-18-16-41)36-31(35-27)24-3-2-4-26-25(24)20-34-37-26;1-2-26(38)31-21-6-8-22(9-7-21)34-10-12-36(13-11-34)30(39)25-19-24-27(41-25)29(35-14-16-40-17-15-35)33-28(32-24)20-4-3-5-23(37)18-20;1-2-25(37)31-17-26(38)30-15-18-6-8-19(9-7-18)24-14-23-27(40-24)29(36-10-12-39-13-11-36)34-28(33-23)20-4-3-5-22-21(20)16-32-35-22/h2-5,7,9-10,19-20H,6,8,11-18,21H2,1H3,(H,34,37);2-9,18-19,37H,1,10-17H2,(H,31,38);2-9,14,16H,1,10-13,15,17H2,(H,30,38)(H,31,37)(H,32,35)/b7-5+;;.

What are the key properties of N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide?

N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide has a molecular weight of 1750.08 g/mol, XLogP of 11.16, 23 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 160790314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).