trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide

C21H18FN3O2 — CID 135378113

IUPACtrans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@H]1c1ncc2ccccn12)c1cc2cc(F)ccc2o1
InChIInChI=1S/C21H18FN3O2/c1-12(19-9-13-8-14(22)5-6-18(13)27-19)24-21(26)17-10-16(17)20-23-11-15-4-2-3-7-25(15)20/h2-9,11-12,16-17H,10H2,1H3,(H,24,26)/t12?,16-,17-/m1/s1
InChIKeyKDJDGBBLUMPXNF-RIJFORKLSA-N
MW363.39 g/mol
LogP4.20
Rot. Bonds4

About trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 135378113) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID135378113
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Nametrans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@H]1c1ncc2ccccn12)c1cc2cc(F)ccc2o1
InChIInChI=1S/C21H18FN3O2/c1-12(19-9-13-8-14(22)5-6-18(13)27-19)24-21(26)17-10-16(17)20-23-11-15-4-2-3-7-25(15)20/h2-9,11-12,16-17H,10H2,1H3,(H,24,26)/t12?,16-,17-/m1/s1
InChIKeyKDJDGBBLUMPXNF-RIJFORKLSA-N
XLogP4.20
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378281
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
CID 146127773
2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxylic acid
CID 116993086
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide
CID 166245378
(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 135378033
1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 119035185
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(5-cyano-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378118
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290
N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 167923624
trans-(1S,2S)-2-(1-ethylbenzimidazol-2-yl)-N-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378321
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 130245599

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide (CID 135378113) is trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide is CC(NC(=O)[C@@H]1C[C@H]1c1ncc2ccccn12)c1cc2cc(F)ccc2o1.
What is the InChIKey of trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is KDJDGBBLUMPXNF-RIJFORKLSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12(19-9-13-8-14(22)5-6-18(13)27-19)24-21(26)17-10-16(17)20-23-11-15-4-2-3-7-25(15)20/h2-9,11-12,16-17H,10H2,1H3,(H,24,26)/t12?,16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.20, 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-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 135378113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).