trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide

C22H20FN3O2 — CID 135377570

IUPACtrans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@H]1c1ccc2cnn(C)c2c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C22H20FN3O2/c1-12(21-9-15-7-16(23)5-6-20(15)28-21)25-22(27)18-10-17(18)13-3-4-14-11-24-26(2)19(14)8-13/h3-9,11-12,17-18H,10H2,1-2H3,(H,25,27)/t12?,17-,18+/m0/s1
InChIKeyXDZLDBJHMANDAE-OTLVQASYSA-N
MW377.42 g/mol
LogP4.44
Rot. Bonds4

About trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 135377570) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
PubChem CID135377570
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Nametrans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@H]1c1ccc2cnn(C)c2c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C22H20FN3O2/c1-12(21-9-15-7-16(23)5-6-20(15)28-21)25-22(27)18-10-17(18)13-3-4-14-11-24-26(2)19(14)8-13/h3-9,11-12,17-18H,10H2,1-2H3,(H,25,27)/t12?,17-,18+/m0/s1
InChIKeyXDZLDBJHMANDAE-OTLVQASYSA-N
XLogP4.44
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide (CID 135377570) is trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide is CC(NC(=O)[C@@H]1C[C@H]1c1ccc2cnn(C)c2c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is XDZLDBJHMANDAE-OTLVQASYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-12(21-9-15-7-16(23)5-6-20(15)28-21)25-22(27)18-10-17(18)13-3-4-14-11-24-26(2)19(14)8-13/h3-9,11-12,17-18H,10H2,1-2H3,(H,25,27)/t12?,17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135377570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).