[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone

C23H25N3O3 — CID 146046914

IUPAC[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)o1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2
InChIInChI=1S/C23H25N3O3/c27-16-23(13-17-5-2-1-3-6-17)14-18-7-10-21(23)26(18)22(28)20-9-8-19(29-20)15-25-12-4-11-24-25/h1-6,8-9,11-12,18,21,27H,7,10,13-16H2/t18-,21+,23-/m0/s1
InChIKeyOJWKYYWEYGVSQT-ZEYPLWLESA-N
MW391.47 g/mol
LogP3.12
Rot. Bonds6

About [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone

[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone (PubChem CID 146046914) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
PubChem CID146046914
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)o1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2
InChIInChI=1S/C23H25N3O3/c27-16-23(13-17-5-2-1-3-6-17)14-18-7-10-21(23)26(18)22(28)20-9-8-19(29-20)15-25-12-4-11-24-25/h1-6,8-9,11-12,18,21,27H,7,10,13-16H2/t18-,21+,23-/m0/s1
InChIKeyOJWKYYWEYGVSQT-ZEYPLWLESA-N
XLogP3.12
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 155509328
5-[(1S,2S,4R)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptane-7-carbonyl]-4,6-dimethylpyran-2-one
CID 164691546
(2-amino-4-pyridinyl)-[(1S,2S,4R)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 166624419
[(1S,2S,4R)-2-benzyl-7-[(1-ethylpyrazol-3-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol
CID 165422531
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(2-chloro-5-fluorophenyl)methanone
CID 154564761
1-[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 146039401
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
CID 154567499
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(4-methoxy-2-pyridinyl)methanone
CID 146043002
5-[(1S,2S,4R)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptane-7-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 164698698
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 79030798
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 62372378
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(4-piperidin-1-ylphenyl)methanone
CID 146038833

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone (CID 146046914) is [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone is O=C(c1ccc(Cn2cccn2)o1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2.
What is the InChIKey of [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is OJWKYYWEYGVSQT-ZEYPLWLESA-N. The full InChI is InChI=1S/C23H25N3O3/c27-16-23(13-17-5-2-1-3-6-17)14-18-7-10-21(23)26(18)22(28)20-9-8-19(29-20)15-25-12-4-11-24-25/h1-6,8-9,11-12,18,21,27H,7,10,13-16H2/t18-,21+,23-/m0/s1.
What are the key properties of [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone?
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 146046914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).