N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide

C24H17F3N4O3 — CID 71621524

IUPACN-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)C2C(O3)C2c2nc3ccc(C(F)(F)F)cc3[nH]2)ccn1
InChIInChI=1S/C24H17F3N4O3/c1-28-23(32)17-10-13(6-7-29-17)33-12-3-5-18-14(9-12)19-20(21(19)34-18)22-30-15-4-2-11(24(25,26)27)8-16(15)31-22/h2-10,19-21H,1H3,(H,28,32)(H,30,31)
InChIKeyJKQCEJLFHYXPNJ-UHFFFAOYSA-N
MW466.42 g/mol
LogP4.77
Rot. Bonds4

About N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 71621524) has the molecular formula C24H17F3N4O3 and a molecular weight of 466.42 g/mol. Its IUPAC name is N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide
PubChem CID71621524
Molecular FormulaC24H17F3N4O3
Molecular Weight466.42 g/mol
Exact Mass466.13
IUPAC NameN-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)C2C(O3)C2c2nc3ccc(C(F)(F)F)cc3[nH]2)ccn1
InChIInChI=1S/C24H17F3N4O3/c1-28-23(32)17-10-13(6-7-29-17)33-12-3-5-18-14(9-12)19-20(21(19)34-18)22-30-15-4-2-11(24(25,26)27)8-16(15)31-22/h2-10,19-21H,1H3,(H,28,32)(H,30,31)
InChIKeyJKQCEJLFHYXPNJ-UHFFFAOYSA-N
XLogP4.77
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide 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 N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide (CID 71621524) is N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)C2C(O3)C2c2nc3ccc(C(F)(F)F)cc3[nH]2)ccn1.
What is the InChIKey of N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is JKQCEJLFHYXPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3/c1-28-23(32)17-10-13(6-7-29-17)33-12-3-5-18-14(9-12)19-20(21(19)34-18)22-30-15-4-2-11(24(25,26)27)8-16(15)31-22/h2-10,19-21H,1H3,(H,28,32)(H,30,31).
What are the key properties of N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 466.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 71621524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).