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

C52H53F4IN6O8Si — CID 159409581

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane
SMILESCOc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc(C)c2C)cc1C.C[Si](C)(C)I.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2c[nH]c(=O)c(C)c2)c1C
InChIInChI=1S/C25H23F2N3O4.C24H21F2N3O4.C3H9ISi/c1-13-10-20(29-21(15(13)3)16-9-14(2)22(32-4)28-12-16)30-23(31)24(7-8-24)17-5-6-18-19(11-17)34-25(26,27)33-18;1-12-9-19(28-20(14(12)3)15-8-13(2)21(30)27-11-15)29-22(31)23(6-7-23)16-4-5-17-18(10-16)33-24(25,26)32-17;1-5(2,3)4/h5-6,9-12H,7-8H2,1-4H3,(H,29,30,31);4-5,8-11H,6-7H2,1-3H3,(H,27,30)(H,28,29,31);1-3H3
InChIKeyLOKDWTUDIAYTRS-UHFFFAOYSA-N
MW1121.01 g/mol
LogP11.68
Rot. Bonds9

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

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane (PubChem CID 159409581) has the molecular formula C52H53F4IN6O8Si and a molecular weight of 1121.01 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane
PubChem CID159409581
Molecular FormulaC52H53F4IN6O8Si
Molecular Weight1121.01 g/mol
Exact Mass1120.27
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane
SMILESCOc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc(C)c2C)cc1C.C[Si](C)(C)I.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2c[nH]c(=O)c(C)c2)c1C
InChIInChI=1S/C25H23F2N3O4.C24H21F2N3O4.C3H9ISi/c1-13-10-20(29-21(15(13)3)16-9-14(2)22(32-4)28-12-16)30-23(31)24(7-8-24)17-5-6-18-19(11-17)34-25(26,27)33-18;1-12-9-19(28-20(14(12)3)15-8-13(2)21(30)27-11-15)29-22(31)23(6-7-23)16-4-5-17-18(10-16)33-24(25,26)32-17;1-5(2,3)4/h5-6,9-12H,7-8H2,1-4H3,(H,29,30,31);4-5,8-11H,6-7H2,1-3H3,(H,27,30)(H,28,29,31);1-3H3
InChIKeyLOKDWTUDIAYTRS-UHFFFAOYSA-N
XLogP11.68
TPSA175.88 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.01
LogP ≤ 511.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane with MolForge

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Related Compounds

N-(6-aminohexyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624799
N-(3-aminopropyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624839
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-n-(2'-methoxy-4-methyl-2,4'-bipyridin-6-yl)cyclopropanecarboxamide
CID 25118017
N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methylpyridin-2-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 25118018
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)pyridin-2-yl]cyclopropane-1-carboxamide
CID 25118019
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-n-(2'-methoxy-3,5'-dimethyl-2,3'-bipyridin-6-yl)cyclopropanecarboxamide
CID 25118020
N-(5'-amino-6'-methoxy-3-methyl-2,3'-bipyridin-6-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 25118363
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxypyridin-4-yl)-5-methylpyridin-2-yl]cyclopropane-1-carboxamide
CID 25118365
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-n-(5-methyl-6-(6-oxo-1,6-dihydropyridin-3-yl)pyridin-2-yl)cyclopropanecarboxamide
CID 25118366
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(6-methoxypyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57733010
1-(2,2-difluorobenzo-[d][1,3]dioxol-5-yl)-N-(1-(6-oxo-1,6-dihydropyridin-3-yl)isoquinolin-3-yl)cyclopropane-carboxamide
CID 57733024
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(4-(6-methoxypyridin-3-yl)-5-methylpyrimidin-2-yl)cyclopropanecarboxamide
CID 57856103

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane (CID 159409581) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane is COc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc(C)c2C)cc1C.C[Si](C)(C)I.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2c[nH]c(=O)c(C)c2)c1C.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane?
The InChIKey is LOKDWTUDIAYTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O4.C24H21F2N3O4.C3H9ISi/c1-13-10-20(29-21(15(13)3)16-9-14(2)22(32-4)28-12-16)30-23(31)24(7-8-24)17-5-6-18-19(11-17)34-25(26,27)33-18;1-12-9-19(28-20(14(12)3)15-8-13(2)21(30)27-11-15)29-22(31)23(6-7-23)16-4-5-17-18(10-16)33-24(25,26)32-17;1-5(2,3)4/h5-6,9-12H,7-8H2,1-4H3,(H,29,30,31);4-5,8-11H,6-7H2,1-3H3,(H,27,30)(H,28,29,31);1-3H3.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane has a molecular weight of 1121.01 g/mol, XLogP of 11.68, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;iodo(trimethyl)silane is sourced from PubChem (CID 159409581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).