N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane

C71H63BClF9IN9O14Si — CID 159236840

About N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane

N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane (PubChem CID 159236840) has the molecular formula C71H63BClF9IN9O14Si and a molecular weight of 1638.57 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane.

Molecular Properties

• Compound Name: N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane
• PubChem CID: 159236840
• Molecular Formula: C71H63BClF9IN9O14Si
• Molecular Weight: 1638.57 g/mol
• Exact Mass: 1637.29
• IUPAC Name: N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane
• SMILES: COc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c(F)cn1.COc1cc(B(O)O)c(F)cn1.C[Si](C)(C)I.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cc(=O)[nH]cc1F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl
• InChI: InChI=1S/C23H18F3N3O4.C22H16F3N3O4.C17H13ClF2N2O3.C6H7BFNO3.C3H9ISi/c1-12-3-6-18(28-20(12)14-10-19(31-2)27-11-15(14)24)29-21(30)22(7-8-22)13-4-5-16-17(9-13)33-23(25,26)32-16;1-11-2-5-17(27-19(11)13-9-18(29)26-10-14(13)23)28-20(30)21(6-7-21)12-3-4-15-16(8-12)32-22(24,25)31-15;1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;1-12-6-2-4(7(10)11)5(8)3-9-6;1-5(2,3)4/h3-6,9-11H,7-8H2,1-2H3,(H,28,29,30);2-5,8-10H,6-7H2,1H3,(H,26,29)(H,27,28,30);2-5,8H,6-7H2,1H3,(H,21,22,23);2-3,10-11H,1H3;1-3H3
• InChIKey: KTOUFYJMLVEHRM-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 298.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1638.57
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane?

The IUPAC name of N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane (CID 159236840) is N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane.

What is the SMILES notation for N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane?

The canonical SMILES for N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane is COc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c(F)cn1.COc1cc(B(O)O)c(F)cn1.C[Si](C)(C)I.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cc(=O)[nH]cc1F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.

What is the InChIKey of N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane?

The InChIKey is KTOUFYJMLVEHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4.C22H16F3N3O4.C17H13ClF2N2O3.C6H7BFNO3.C3H9ISi/c1-12-3-6-18(28-20(12)14-10-19(31-2)27-11-15(14)24)29-21(30)22(7-8-22)13-4-5-16-17(9-13)33-23(25,26)32-16;1-11-2-5-17(27-19(11)13-9-18(29)26-10-14(13)23)28-20(30)21(6-7-21)12-3-4-15-16(8-12)32-22(24,25)31-15;1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;1-12-6-2-4(7(10)11)5(8)3-9-6;1-5(2,3)4/h3-6,9-11H,7-8H2,1-2H3,(H,28,29,30);2-5,8-10H,6-7H2,1H3,(H,26,29)(H,27,28,30);2-5,8H,6-7H2,1H3,(H,21,22,23);2-3,10-11H,1H3;1-3H3.

What are the key properties of N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane?

N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane has a molecular weight of 1638.57 g/mol, XLogP of 13.67, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxy-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-oxo-1H-pyridin-4-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;(5-fluoro-2-methoxy-4-pyridinyl)boronic acid;iodo(trimethyl)silane is sourced from PubChem (CID 159236840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).