4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide

C20H20F2N4O3 — CID 175480439

IUPAC4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccnn3)c(C3CCNCC3(F)F)c2c1C(N)=O
InChIInChI=1S/C20H20F2N4O3/c1-11-16(19(23)27)18-15(29-11)5-4-14(28-9-12-3-2-7-25-26-12)17(18)13-6-8-24-10-20(13,21)22/h2-5,7,13,24H,6,8-10H2,1H3,(H2,23,27)
InChIKeyHWNMBWINQWRLHL-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.92
Rot. Bonds5

About 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide

4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide (PubChem CID 175480439) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide
PubChem CID175480439
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccnn3)c(C3CCNCC3(F)F)c2c1C(N)=O
InChIInChI=1S/C20H20F2N4O3/c1-11-16(19(23)27)18-15(29-11)5-4-14(28-9-12-3-2-7-25-26-12)17(18)13-6-8-24-10-20(13,21)22/h2-5,7,13,24H,6,8-10H2,1H3,(H2,23,27)
InChIKeyHWNMBWINQWRLHL-UHFFFAOYSA-N
XLogP2.92
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide?
The IUPAC name of 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide (CID 175480439) is 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3cccnn3)c(C3CCNCC3(F)F)c2c1C(N)=O.
What is the InChIKey of 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide?
The InChIKey is HWNMBWINQWRLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-11-16(19(23)27)18-15(29-11)5-4-14(28-9-12-3-2-7-25-26-12)17(18)13-6-8-24-10-20(13,21)22/h2-5,7,13,24H,6,8-10H2,1H3,(H2,23,27).
What are the key properties of 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide?
4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(pyridazin-3-ylmethoxy)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).