1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane

C74H96BrCl3N12O15 — CID 158658982

About 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane

1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane (PubChem CID 158658982) has the molecular formula C74H96BrCl3N12O15 and a molecular weight of 1579.91 g/mol. Its IUPAC name is 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane.

Molecular Properties

• Compound Name: 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane
• PubChem CID: 158658982
• Molecular Formula: C74H96BrCl3N12O15
• Molecular Weight: 1579.91 g/mol
• Exact Mass: 1576.54
• IUPAC Name: 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane
• SMILES: C.C.CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.CC(O)C1CN(c2ccc(N)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1
• InChI: InChI=1S/2C24H29ClN4O5.C13H13BrClNO3.C11H17N3O2.2CH4/c2*1-14(30)19-13-28(9-10-33-19)15-5-8-20(26-11-15)27-18-7-6-17(25)16-12-29(22(31)21(16)18)23(32)34-24(2,3)4;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;1-8(15)10-7-14(4-5-16-10)9-2-3-11(12)13-6-9;;/h2*5-8,11,14,19,30H,9-10,12-13H2,1-4H3,(H,26,27);4-5H,6H2,1-3H3;2-3,6,8,10,15H,4-5,7H2,1H3,(H2,12,13);2*1H4
• InChIKey: ICMXRXNJCLVFTB-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 326.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1579.91
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane?

The IUPAC name of 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane (CID 158658982) is 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane.

What is the SMILES notation for 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane?

The canonical SMILES for 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane is C.C.CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.CC(O)C1CN(c2ccc(N)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.

What is the InChIKey of 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane?

The InChIKey is ICMXRXNJCLVFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29ClN4O5.C13H13BrClNO3.C11H17N3O2.2CH4/c2*1-14(30)19-13-28(9-10-33-19)15-5-8-20(26-11-15)27-18-7-6-17(25)16-12-29(22(31)21(16)18)23(32)34-24(2,3)4;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;1-8(15)10-7-14(4-5-16-10)9-2-3-11(12)13-6-9;;/h2*5-8,11,14,19,30H,9-10,12-13H2,1-4H3,(H,26,27);4-5H,6H2,1-3H3;2-3,6,8,10,15H,4-5,7H2,1H3,(H2,12,13);2*1H4.

What are the key properties of 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane?

1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane has a molecular weight of 1579.91 g/mol, XLogP of 13.43, 10 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-amino-3-pyridinyl)morpholin-2-yl]ethanol;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);methane is sourced from PubChem (CID 158658982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).