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

C22H20FN3O2 — CID 135377569

IUPACtrans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
SMILESC[C@@H](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-/m1/s1
InChIKeyXDZLDBJHMANDAE-OCBCSQNSSA-N
MW377.42 g/mol
LogP4.44
Rot. Bonds4

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

trans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 135377569) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
PubChem CID135377569
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Nametrans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
SMILESC[C@@H](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-/m1/s1
InChIKeyXDZLDBJHMANDAE-OCBCSQNSSA-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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Related Compounds

2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-(2-furanylmethyl)-
CID 11958393
2-[1-[[4-(1-Benzofuran-2-ylmethylcarbamoyl)-2-fluorophenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
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Emprumapimod
CID 67411502
3-ethoxy-N-(furan-2-ylmethyl)-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958391
2H-Indazole-6-carboxamide, 3-ethoxy-2-ethyl-N-(2-furanylmethyl)-
CID 11958697
N-[3-(1H-indazol-1-yl)propyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
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CID 9944804
1-(2-((2S,4R)-4-fluoro-2-((S)-1-(5-fluoro-3-methylbenzofuran-2-yl)ethylcarbamoyl) pyrrolidin-1-yl)-2-oxoethyl)-5-(pyridazin-4-yl)-1H-indazole-3-carboxamide
CID 118323431
N-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]acetamide
CID 57395333
2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 18409603
1-(2-((2S,4R)-4-fluoro-2-((R)-1-(5-fluoro-3-methylbenzofuran-2-yl)ethylcarbamoyl) pyrrolidin-1-yl)-2-oxoethyl)-5-(pyridazin-4-yl)-1H-indazole-3-carboxamide
CID 118323530
US20250154138, Example 240
CID 176332138

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide (CID 135377569) is trans-(1R,2R)-N-[(1R)-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-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide is C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc2cnn(C)c2c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of trans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is XDZLDBJHMANDAE-OCBCSQNSSA-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-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1R)-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-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135377569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).