4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide

C132H163BBr5Cl4N15O22 — CID 159123411

IUPAC4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(N)ccc1C1CCOC1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1Br.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.CC(C)(O)c1nc(Cl)ccc1Br.COC(=O)c1nc(Cl)ccc1Br.NC(=O)C1CC1.OB(O)c1ccoc1
InChIInChI=1S/C19H26N2O3.2C19H22N2O3.C15H19BrN2O2.C15H22N2O2.2C11H13BrClNO.C8H9BrClNO.C7H5BrClNO2.C4H5BO3.C4H7NO/c3*1-12(22)10-19(2,3)17-15(14-8-9-24-11-14)6-7-16(20-17)21-18(23)13-4-5-13;1-9(19)8-15(2,3)13-11(16)6-7-12(17-13)18-14(20)10-4-5-10;1-10(18)8-15(2,3)14-12(4-5-13(16)17-14)11-6-7-19-9-11;2*1-7(15)6-11(2,3)10-8(12)4-5-9(13)14-10;1-8(2,12)7-5(9)3-4-6(10)11-7;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,20,21,23);2*6-9,11,13H,4-5,10H2,1-3H3,(H,20,21,23);6-7,10H,4-5,8H2,1-3H3,(H,17,18,20);4-5,11H,6-9H2,1-3H3,(H2,16,17);2*4-5H,6H2,1-3H3;3-4,12H,1-2H3;2-3H,1H3;1-3,6-7H;3H,1-2H2,(H2,5,6)
InChIKeyKFZFFABHUYPRKX-UHFFFAOYSA-N
MW2863.98 g/mol
LogP28.32
Rot. Bonds37

About 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide

4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 159123411) has the molecular formula C132H163BBr5Cl4N15O22 and a molecular weight of 2863.98 g/mol. Its IUPAC name is 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound Name4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID159123411
Molecular FormulaC132H163BBr5Cl4N15O22
Molecular Weight2863.98 g/mol
Exact Mass2855.69
IUPAC Name4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(N)ccc1C1CCOC1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1Br.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.CC(C)(O)c1nc(Cl)ccc1Br.COC(=O)c1nc(Cl)ccc1Br.NC(=O)C1CC1.OB(O)c1ccoc1
InChIInChI=1S/C19H26N2O3.2C19H22N2O3.C15H19BrN2O2.C15H22N2O2.2C11H13BrClNO.C8H9BrClNO.C7H5BrClNO2.C4H5BO3.C4H7NO/c3*1-12(22)10-19(2,3)17-15(14-8-9-24-11-14)6-7-16(20-17)21-18(23)13-4-5-13;1-9(19)8-15(2,3)13-11(16)6-7-12(17-13)18-14(20)10-4-5-10;1-10(18)8-15(2,3)14-12(4-5-13(16)17-14)11-6-7-19-9-11;2*1-7(15)6-11(2,3)10-8(12)4-5-9(13)14-10;1-8(2,12)7-5(9)3-4-6(10)11-7;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,20,21,23);2*6-9,11,13H,4-5,10H2,1-3H3,(H,20,21,23);6-7,10H,4-5,8H2,1-3H3,(H,17,18,20);4-5,11H,6-9H2,1-3H3,(H2,16,17);2*4-5H,6H2,1-3H3;3-4,12H,1-2H3;2-3H,1H3;1-3,6-7H;3H,1-2H2,(H2,5,6)
InChIKeyKFZFFABHUYPRKX-UHFFFAOYSA-N
XLogP28.32
TPSA565.88 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002863.98
LogP ≤ 528.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide (CID 159123411) is 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide is CC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(N)ccc1C1CCOC1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1Br.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.CC(C)(O)c1nc(Cl)ccc1Br.COC(=O)c1nc(Cl)ccc1Br.NC(=O)C1CC1.OB(O)c1ccoc1.
What is the InChIKey of 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is KFZFFABHUYPRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.2C19H22N2O3.C15H19BrN2O2.C15H22N2O2.2C11H13BrClNO.C8H9BrClNO.C7H5BrClNO2.C4H5BO3.C4H7NO/c3*1-12(22)10-19(2,3)17-15(14-8-9-24-11-14)6-7-16(20-17)21-18(23)13-4-5-13;1-9(19)8-15(2,3)13-11(16)6-7-12(17-13)18-14(20)10-4-5-10;1-10(18)8-15(2,3)14-12(4-5-13(16)17-14)11-6-7-19-9-11;2*1-7(15)6-11(2,3)10-8(12)4-5-9(13)14-10;1-8(2,12)7-5(9)3-4-6(10)11-7;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,20,21,23);2*6-9,11,13H,4-5,10H2,1-3H3,(H,20,21,23);6-7,10H,4-5,8H2,1-3H3,(H,17,18,20);4-5,11H,6-9H2,1-3H3,(H2,16,17);2*4-5H,6H2,1-3H3;3-4,12H,1-2H3;2-3H,1H3;1-3,6-7H;3H,1-2H2,(H2,5,6).
What are the key properties of 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide?
4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 2863.98 g/mol, XLogP of 28.32, 37 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-3-(oxolan-3-yl)-2-pyridinyl]-4-methylpentan-2-one;bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;bis(N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide);methyl 3-bromo-6-chloropyridine-2-carboxylate;N-[6-(2-methyl-4-oxopentan-2-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 159123411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).