2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

C22H25FN4O2 — CID 161108014

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCN(C1COC1)C1[C@H]2CN(C(=O)Cc3nc(-c4ccc(F)cc4)ccc3N)C[C@@H]12
InChIInChI=1S/C22H25FN4O2/c1-26(15-11-29-12-15)22-16-9-27(10-17(16)22)21(28)8-20-18(24)6-7-19(25-20)13-2-4-14(23)5-3-13/h2-7,15-17,22H,8-12,24H2,1H3/t16-,17+,22?
InChIKeyUJHWYGZKWVFTRY-AQKKSAQBSA-N
MW396.47 g/mol
LogP1.80
Rot. Bonds5

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (PubChem CID 161108014) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
PubChem CID161108014
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCN(C1COC1)C1[C@H]2CN(C(=O)Cc3nc(-c4ccc(F)cc4)ccc3N)C[C@@H]12
InChIInChI=1S/C22H25FN4O2/c1-26(15-11-29-12-15)22-16-9-27(10-17(16)22)21(28)8-20-18(24)6-7-19(25-20)13-2-4-14(23)5-3-13/h2-7,15-17,22H,8-12,24H2,1H3/t16-,17+,22?
InChIKeyUJHWYGZKWVFTRY-AQKKSAQBSA-N
XLogP1.80
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone 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

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 160529791
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone
CID 147020979
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone
CID 162163426
2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 158752571
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 162036810
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3-fluoro-3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
CID 158019572
2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-[3-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 158991235
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone
CID 158400189
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol
CID 145230400
2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 158991234
1-[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-(4-fluorophenyl)ethanone
CID 97364641
1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
CID 161306224

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (CID 161108014) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is CN(C1COC1)C1[C@H]2CN(C(=O)Cc3nc(-c4ccc(F)cc4)ccc3N)C[C@@H]12.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The InChIKey is UJHWYGZKWVFTRY-AQKKSAQBSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-26(15-11-29-12-15)22-16-9-27(10-17(16)22)21(28)8-20-18(24)6-7-19(25-20)13-2-4-14(23)5-3-13/h2-7,15-17,22H,8-12,24H2,1H3/t16-,17+,22?.
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone has a molecular weight of 396.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is sourced from PubChem (CID 161108014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).