bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate

C85H92ClN17O21S5 — CID 159583570

About bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate

bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate (PubChem CID 159583570) has the molecular formula C85H92ClN17O21S5 and a molecular weight of 1883.56 g/mol. Its IUPAC name is bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate.

Molecular Properties

• Compound Name: bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate
• PubChem CID: 159583570
• Molecular Formula: C85H92ClN17O21S5
• Molecular Weight: 1883.56 g/mol
• Exact Mass: 1881.49
• IUPAC Name: bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate
• SMILES: CN(C)C(=O)c1cc2cnc(Cl)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3csc4c(=O)cc(N5CCOCC5)oc34)nc2n1C1CCCC1.Nc1csc2c(=O)cc(N3CCOCC3)oc12.Nc1csc2c(=O)cc(N3CCOCC3)oc12.O.O=C(O)c1csc2c(=O)cc(N3CCOCC3)oc12.O=C=Nc1csc2c(=O)cc(N3CCOCC3)oc12
• InChI: InChI=1S/C25H28N6O4S.C14H17ClN4O.C12H10N2O4S.C12H11NO5S.2C11H12N2O3S.H2O/c1-29(2)24(33)18-11-15-13-26-25(28-23(15)31(18)16-5-3-4-6-16)27-17-14-36-22-19(32)12-20(35-21(17)22)30-7-9-34-10-8-30;1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10;15-7-13-8-6-19-12-9(16)5-10(18-11(8)12)14-1-3-17-4-2-14;14-8-5-9(13-1-3-17-4-2-13)18-10-7(12(15)16)6-19-11(8)10;2*12-7-6-17-11-8(14)5-9(16-10(7)11)13-1-3-15-4-2-13;/h11-14,16H,3-10H2,1-2H3,(H,26,27,28);7-8,10H,3-6H2,1-2H3;5-6H,1-4H2;5-6H,1-4H2,(H,15,16);2*5-6H,1-4,12H2;1H2
• InChIKey: GPZWHOXTLNUIFD-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 477.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.56
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate?

The IUPAC name of bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate (CID 159583570) is bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate.

What is the SMILES notation for bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate?

The canonical SMILES for bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate is CN(C)C(=O)c1cc2cnc(Cl)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3csc4c(=O)cc(N5CCOCC5)oc34)nc2n1C1CCCC1.Nc1csc2c(=O)cc(N3CCOCC3)oc12.Nc1csc2c(=O)cc(N3CCOCC3)oc12.O.O=C(O)c1csc2c(=O)cc(N3CCOCC3)oc12.O=C=Nc1csc2c(=O)cc(N3CCOCC3)oc12.

What is the InChIKey of bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate?

The InChIKey is GPZWHOXTLNUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4S.C14H17ClN4O.C12H10N2O4S.C12H11NO5S.2C11H12N2O3S.H2O/c1-29(2)24(33)18-11-15-13-26-25(28-23(15)31(18)16-5-3-4-6-16)27-17-14-36-22-19(32)12-20(35-21(17)22)30-7-9-34-10-8-30;1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10;15-7-13-8-6-19-12-9(16)5-10(18-11(8)12)14-1-3-17-4-2-14;14-8-5-9(13-1-3-17-4-2-13)18-10-7(12(15)16)6-19-11(8)10;2*12-7-6-17-11-8(14)5-9(16-10(7)11)13-1-3-15-4-2-13;/h11-14,16H,3-10H2,1-2H3,(H,26,27,28);7-8,10H,3-6H2,1-2H3;5-6H,1-4H2;5-6H,1-4H2,(H,15,16);2*5-6H,1-4,12H2;1H2.

What are the key properties of bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate?

bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate has a molecular weight of 1883.56 g/mol, XLogP of 11.67, 13 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate is sourced from PubChem (CID 159583570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).