3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine

C23H28F2N6O2 — CID 144991294

IUPAC3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine
SMILESCOc1ccc(-n2c(-c3ccc(CCN)c(F)c3)nc(C)c2F)cn1.NC1CCN(C=O)C1
InChIInChI=1S/C18H18F2N4O.C5H10N2O/c1-11-17(20)24(14-5-6-16(25-2)22-10-14)18(23-11)13-4-3-12(7-8-21)15(19)9-13;6-5-1-2-7(3-5)4-8/h3-6,9-10H,7-8,21H2,1-2H3;4-5H,1-3,6H2
InChIKeyOPRFENDYBBCQCU-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.21
Rot. Bonds6

About 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine

3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine (PubChem CID 144991294) has the molecular formula C23H28F2N6O2 and a molecular weight of 458.51 g/mol. Its IUPAC name is 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine.

Molecular Properties

Compound Name3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine
PubChem CID144991294
Molecular FormulaC23H28F2N6O2
Molecular Weight458.51 g/mol
Exact Mass458.22
IUPAC Name3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine
SMILESCOc1ccc(-n2c(-c3ccc(CCN)c(F)c3)nc(C)c2F)cn1.NC1CCN(C=O)C1
InChIInChI=1S/C18H18F2N4O.C5H10N2O/c1-11-17(20)24(14-5-6-16(25-2)22-10-14)18(23-11)13-4-3-12(7-8-21)15(19)9-13;6-5-1-2-7(3-5)4-8/h3-6,9-10H,7-8,21H2,1-2H3;4-5H,1-3,6H2
InChIKeyOPRFENDYBBCQCU-UHFFFAOYSA-N
XLogP2.21
TPSA112.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine 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-[4-(2-aminoethyl)phenyl]-5-fluoro-1-(6-methoxy-3-pyridinyl)imidazol-4-yl]methanol
CID 144991223
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoro-4-isocyanophenyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)imidazol-4-yl]methanone
CID 140910087
ethane;5-fluoro-1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-propylphenyl)-4-methylimidazole;(3-methylpyrrolidin-1-yl)methanol
CID 144991199
[(3S)-3-aminopiperidin-1-yl]-[5-cyclopropyl-2-(3-fluoro-4-isocyanophenyl)-1-(6-methoxy-3-pyridinyl)imidazol-4-yl]methanone
CID 140909929
[(3S)-3-aminopiperidin-1-yl]-[2-(3-fluoro-4-isocyanophenyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)imidazol-4-yl]methanone
CID 140910046
5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde
CID 144991035
1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 24694826
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-5-chloro-1-(4-methoxyphenyl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745416
[(3R)-3-aminopyrrolidin-1-yl]-[5-chloro-2-(3-fluoro-4-isocyanophenyl)-1-(4-methoxyphenyl)imidazol-4-yl]methanone
CID 140910069
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-5-chloro-1-(5-fluoro-6-methoxy-3-pyridinyl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745496
2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole
CID 102212973
3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778818

Frequently Asked Questions

What is the IUPAC name of 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine?
The IUPAC name of 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine (CID 144991294) is 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine.
What is the SMILES notation for 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine?
The canonical SMILES for 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine is COc1ccc(-n2c(-c3ccc(CCN)c(F)c3)nc(C)c2F)cn1.NC1CCN(C=O)C1.
What is the InChIKey of 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine?
The InChIKey is OPRFENDYBBCQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O.C5H10N2O/c1-11-17(20)24(14-5-6-16(25-2)22-10-14)18(23-11)13-4-3-12(7-8-21)15(19)9-13;6-5-1-2-7(3-5)4-8/h3-6,9-10H,7-8,21H2,1-2H3;4-5H,1-3,6H2.
What are the key properties of 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine?
3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine has a molecular weight of 458.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine is sourced from PubChem (CID 144991294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).