6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

C107H147BBrN11O13 — CID 160825628

IUPAC6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)Nc2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)C1.CC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(NC(=O)C4CNCCO4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Nc1cccc(Br)n1
InChIInChI=1S/C29H39N3O4.C24H31N3O2.C20H31BO2.C19H24N2.C10H17NO5.C5H5BrN2/c1-27(2,3)36-26(34)32-15-16-35-23(18-32)25(33)31-24-10-8-9-22(30-24)19-11-12-20-21(17-19)29(6,7)14-13-28(20,4)5;1-23(2)10-11-24(3,4)18-14-16(8-9-17(18)23)19-6-5-7-21(26-19)27-22(28)20-15-25-12-13-29-20;1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21;1-18(2)10-11-19(3,4)15-12-13(8-9-14(15)18)16-6-5-7-17(20)21-16;1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;6-4-2-1-3-5(7)8-4/h8-12,17,23H,13-16,18H2,1-7H3,(H,30,31,33);5-9,14,20,25H,10-13,15H2,1-4H3,(H,26,27,28);9-10,13H,11-12H2,1-8H3;5-9,12H,10-11H2,1-4H3,(H2,20,21);7H,4-6H2,1-3H3,(H,12,13);1-3H,(H2,7,8)
InChIKeySGCUNRORUQDDTH-UHFFFAOYSA-N
MW1886.13 g/mol
LogP20.84
Rot. Bonds9

About 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane (PubChem CID 160825628) has the molecular formula C107H147BBrN11O13 and a molecular weight of 1886.13 g/mol. Its IUPAC name is 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
PubChem CID160825628
Molecular FormulaC107H147BBrN11O13
Molecular Weight1886.13 g/mol
Exact Mass1884.05
IUPAC Name6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)Nc2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)C1.CC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(NC(=O)C4CNCCO4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Nc1cccc(Br)n1
InChIInChI=1S/C29H39N3O4.C24H31N3O2.C20H31BO2.C19H24N2.C10H17NO5.C5H5BrN2/c1-27(2,3)36-26(34)32-15-16-35-23(18-32)25(33)31-24-10-8-9-22(30-24)19-11-12-20-21(17-19)29(6,7)14-13-28(20,4)5;1-23(2)10-11-24(3,4)18-14-16(8-9-17(18)23)19-6-5-7-21(26-19)27-22(28)20-15-25-12-13-29-20;1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21;1-18(2)10-11-19(3,4)15-12-13(8-9-14(15)18)16-6-5-7-17(20)21-16;1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;6-4-2-1-3-5(7)8-4/h8-12,17,23H,13-16,18H2,1-7H3,(H,30,31,33);5-9,14,20,25H,10-13,15H2,1-4H3,(H,26,27,28);9-10,13H,11-12H2,1-8H3;5-9,12H,10-11H2,1-4H3,(H2,20,21);7H,4-6H2,1-3H3,(H,12,13);1-3H,(H2,7,8)
InChIKeySGCUNRORUQDDTH-UHFFFAOYSA-N
XLogP20.84
TPSA316.36 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.13
LogP ≤ 520.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane (CID 160825628) is 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N1CCOC(C(=O)Nc2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)C1.CC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(NC(=O)C4CNCCO4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Nc1cccc(Br)n1.
What is the InChIKey of 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is SGCUNRORUQDDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4.C24H31N3O2.C20H31BO2.C19H24N2.C10H17NO5.C5H5BrN2/c1-27(2,3)36-26(34)32-15-16-35-23(18-32)25(33)31-24-10-8-9-22(30-24)19-11-12-20-21(17-19)29(6,7)14-13-28(20,4)5;1-23(2)10-11-24(3,4)18-14-16(8-9-17(18)23)19-6-5-7-21(26-19)27-22(28)20-15-25-12-13-29-20;1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21;1-18(2)10-11-19(3,4)15-12-13(8-9-14(15)18)16-6-5-7-17(20)21-16;1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;6-4-2-1-3-5(7)8-4/h8-12,17,23H,13-16,18H2,1-7H3,(H,30,31,33);5-9,14,20,25H,10-13,15H2,1-4H3,(H,26,27,28);9-10,13H,11-12H2,1-8H3;5-9,12H,10-11H2,1-4H3,(H2,20,21);7H,4-6H2,1-3H3,(H,12,13);1-3H,(H2,7,8).
What are the key properties of 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1886.13 g/mol, XLogP of 20.84, 9 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridin-2-amine;tert-butyl 2-[[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;N-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]morpholine-2-carboxamide;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160825628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).