N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide

C18H17ClF4N4O2 — CID 178057620

IUPACN-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1(C)CCN(c2ccc(F)c(F)c2OC(F)F)C1C(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C18H17ClF4N4O2/c1-18(2)5-6-27(11-4-3-10(20)13(21)14(11)29-17(22)23)15(18)16(28)25-9-7-12(19)26-24-8-9/h3-4,7-8,15,17H,5-6H2,1-2H3,(H,25,26,28)
InChIKeyLYJYKHMOEDVPJT-UHFFFAOYSA-N
MW432.81 g/mol
LogP4.25
Rot. Bonds5

About N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide

N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide (PubChem CID 178057620) has the molecular formula C18H17ClF4N4O2 and a molecular weight of 432.81 g/mol. Its IUPAC name is N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide
PubChem CID178057620
Molecular FormulaC18H17ClF4N4O2
Molecular Weight432.81 g/mol
Exact Mass432.10
IUPAC NameN-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1(C)CCN(c2ccc(F)c(F)c2OC(F)F)C1C(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C18H17ClF4N4O2/c1-18(2)5-6-27(11-4-3-10(20)13(21)14(11)29-17(22)23)15(18)16(28)25-9-7-12(19)26-24-8-9/h3-4,7-8,15,17H,5-6H2,1-2H3,(H,25,26,28)
InChIKeyLYJYKHMOEDVPJT-UHFFFAOYSA-N
XLogP4.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide (CID 178057620) is N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide is CC1(C)CCN(c2ccc(F)c(F)c2OC(F)F)C1C(=O)Nc1cnnc(Cl)c1.
What is the InChIKey of N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide?
The InChIKey is LYJYKHMOEDVPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF4N4O2/c1-18(2)5-6-27(11-4-3-10(20)13(21)14(11)29-17(22)23)15(18)16(28)25-9-7-12(19)26-24-8-9/h3-4,7-8,15,17H,5-6H2,1-2H3,(H,25,26,28).
What are the key properties of N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide?
N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide has a molecular weight of 432.81 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-4-yl)-1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 178057620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).