cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)

C85H96BBr2ClN12O24 — CID 162054368

IUPACcyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)
SMILESCOC(=O)c1nc(N)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.COC(=O)c1nc(NC(=O)C2CC2)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.O=C(Cl)C1CC1.O=C(Nc1ccc(C2CCOC2)c(CO)n1)C1CC1.OB(O)c1ccoc1
InChIInChI=1S/2C15H18N2O4.C15H14N2O4.C14H18N2O3.C11H11BrN2O3.C7H7BrN2O2.C4H5BO3.C4H5ClO/c3*1-20-15(19)13-11(10-6-7-21-8-10)4-5-12(16-13)17-14(18)9-2-3-9;17-7-12-11(10-5-6-19-8-10)3-4-13(15-12)16-14(18)9-1-2-9;1-17-11(16)9-7(12)4-5-8(13-9)14-10(15)6-2-3-6;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/h2*4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,18);4-9H,2-3H2,1H3,(H,16,17,18);3-4,9-10,17H,1-2,5-8H2,(H,15,16,18);4-6H,2-3H2,1H3,(H,13,14,15);2-3H,1H3,(H2,9,10);1-3,6-7H;3H,1-2H2
InChIKeyYYZCKYDKWNTUKF-UHFFFAOYSA-N
MW1875.84 g/mol
LogP10.66
Rot. Bonds22

About cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)

cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) (PubChem CID 162054368) has the molecular formula C85H96BBr2ClN12O24 and a molecular weight of 1875.84 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate).

Molecular Properties

Compound Namecyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)
PubChem CID162054368
Molecular FormulaC85H96BBr2ClN12O24
Molecular Weight1875.84 g/mol
Exact Mass1872.48
IUPAC Namecyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)
SMILESCOC(=O)c1nc(N)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.COC(=O)c1nc(NC(=O)C2CC2)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.O=C(Cl)C1CC1.O=C(Nc1ccc(C2CCOC2)c(CO)n1)C1CC1.OB(O)c1ccoc1
InChIInChI=1S/2C15H18N2O4.C15H14N2O4.C14H18N2O3.C11H11BrN2O3.C7H7BrN2O2.C4H5BO3.C4H5ClO/c3*1-20-15(19)13-11(10-6-7-21-8-10)4-5-12(16-13)17-14(18)9-2-3-9;17-7-12-11(10-5-6-19-8-10)3-4-13(15-12)16-14(18)9-1-2-9;1-17-11(16)9-7(12)4-5-8(13-9)14-10(15)6-2-3-6;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/h2*4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,18);4-9H,2-3H2,1H3,(H,16,17,18);3-4,9-10,17H,1-2,5-8H2,(H,15,16,18);4-6H,2-3H2,1H3,(H,13,14,15);2-3H,1H3,(H2,9,10);1-3,6-7H;3H,1-2H2
InChIKeyYYZCKYDKWNTUKF-UHFFFAOYSA-N
XLogP10.66
TPSA512.09 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001875.84
LogP ≤ 510.66
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)?
The IUPAC name of cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) (CID 162054368) is cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate).
What is the SMILES notation for cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)?
The canonical SMILES for cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) is COC(=O)c1nc(N)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.COC(=O)c1nc(NC(=O)C2CC2)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.O=C(Cl)C1CC1.O=C(Nc1ccc(C2CCOC2)c(CO)n1)C1CC1.OB(O)c1ccoc1.
What is the InChIKey of cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)?
The InChIKey is YYZCKYDKWNTUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18N2O4.C15H14N2O4.C14H18N2O3.C11H11BrN2O3.C7H7BrN2O2.C4H5BO3.C4H5ClO/c3*1-20-15(19)13-11(10-6-7-21-8-10)4-5-12(16-13)17-14(18)9-2-3-9;17-7-12-11(10-5-6-19-8-10)3-4-13(15-12)16-14(18)9-1-2-9;1-17-11(16)9-7(12)4-5-8(13-9)14-10(15)6-2-3-6;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/h2*4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,18);4-9H,2-3H2,1H3,(H,16,17,18);3-4,9-10,17H,1-2,5-8H2,(H,15,16,18);4-6H,2-3H2,1H3,(H,13,14,15);2-3H,1H3,(H2,9,10);1-3,6-7H;3H,1-2H2.
What are the key properties of cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)?
cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) has a molecular weight of 1875.84 g/mol, XLogP of 10.66, 22 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonyl chloride;furan-3-ylboronic acid;N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) is sourced from PubChem (CID 162054368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).