(3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol

C94H132Cl3F4N21O12 — CID 167595294

About (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol

(3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol (PubChem CID 167595294) has the molecular formula C94H132Cl3F4N21O12 and a molecular weight of 1930.58 g/mol. Its IUPAC name is (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol.

Molecular Properties

• Compound Name: (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol
• PubChem CID: 167595294
• Molecular Formula: C94H132Cl3F4N21O12
• Molecular Weight: 1930.58 g/mol
• Exact Mass: 1927.94
• IUPAC Name: (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol
• SMILES: CCCC[C@@H](C)C(O)CF.CCCC[C@@H](N)C(O)CF.CCCC[C@@H](Nc1nc(Cl)nc2cccnc12)C(O)CF.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C(O)CF.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)[C@H](C)N1C(=O)c2ccccc2C1=O.CCO.CCO.Clc1nc(Cl)c2ncccc2n1.[H]/N=N/[H]
• InChI: InChI=1S/C31H34N6O4.C23H30FN5O3.C14H18ClFN4O.C8H17FO.C7H3Cl2N3.C7H16FNO.2C2H6O.H2N2/c1-5-6-12-24(19(2)37-29(38)22-10-7-8-11-23(22)30(37)39)34-28-27-25(13-9-16-32-27)35-31(36-28)33-18-20-14-15-21(40-3)17-26(20)41-4;1-4-5-7-17(19(30)13-24)27-22-21-18(8-6-11-25-21)28-23(29-22)26-14-15-9-10-16(31-2)12-20(15)32-3;1-2-3-5-9(11(21)8-16)18-13-12-10(6-4-7-17-12)19-14(15)20-13;1-3-4-5-7(2)8(10)6-9;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-4-6(9)7(10)5-8;2*1-2-3;1-2/h7-11,13-17,19,24H,5-6,12,18H2,1-4H3,(H2,33,34,35,36);6,8-12,17,19,30H,4-5,7,13-14H2,1-3H3,(H2,26,27,28,29);4,6-7,9,11,21H,2-3,5,8H2,1H3,(H,18,19,20);7-8,10H,3-6H2,1-2H3;1-3H;6-7,10H,2-5,9H2,1H3;2*3H,2H2,1H3;1-2H/b;;;;;;;;2-1+/t19-,24+;17-,19?;9-,11?;7-,8?;;6-,7?;;;/m0111.1.../s1
• InChIKey: IZDWTEYROBMDNU-FVDMWLQJSA-N
• XLogP: 18.15
• TPSA: 484.23 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1930.58
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol?

The IUPAC name of (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol (CID 167595294) is (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol.

What is the SMILES notation for (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol?

The canonical SMILES for (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol is CCCC[C@@H](C)C(O)CF.CCCC[C@@H](N)C(O)CF.CCCC[C@@H](Nc1nc(Cl)nc2cccnc12)C(O)CF.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C(O)CF.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)[C@H](C)N1C(=O)c2ccccc2C1=O.CCO.CCO.Clc1nc(Cl)c2ncccc2n1.[H]/N=N/[H].

What is the InChIKey of (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol?

The InChIKey is IZDWTEYROBMDNU-FVDMWLQJSA-N. The full InChI is InChI=1S/C31H34N6O4.C23H30FN5O3.C14H18ClFN4O.C8H17FO.C7H3Cl2N3.C7H16FNO.2C2H6O.H2N2/c1-5-6-12-24(19(2)37-29(38)22-10-7-8-11-23(22)30(37)39)34-28-27-25(13-9-16-32-27)35-31(36-28)33-18-20-14-15-21(40-3)17-26(20)41-4;1-4-5-7-17(19(30)13-24)27-22-21-18(8-6-11-25-21)28-23(29-22)26-14-15-9-10-16(31-2)12-20(15)32-3;1-2-3-5-9(11(21)8-16)18-13-12-10(6-4-7-17-12)19-14(15)20-13;1-3-4-5-7(2)8(10)6-9;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-4-6(9)7(10)5-8;2*1-2-3;1-2/h7-11,13-17,19,24H,5-6,12,18H2,1-4H3,(H2,33,34,35,36);6,8-12,17,19,30H,4-5,7,13-14H2,1-3H3,(H2,26,27,28,29);4,6-7,9,11,21H,2-3,5,8H2,1H3,(H,18,19,20);7-8,10H,3-6H2,1-2H3;1-3H;6-7,10H,2-5,9H2,1H3;2*3H,2H2,1H3;1-2H/b;;;;;;;;2-1+/t19-,24+;17-,19?;9-,11?;7-,8?;;6-,7?;;;/m0111.1.../s1.

What are the key properties of (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol?

(3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol has a molecular weight of 1930.58 g/mol, XLogP of 18.15, 41 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol is sourced from PubChem (CID 167595294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).