2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane

C18H18FN3O2 — CID 162759639

IUPAC2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
SMILESC1CC1.Nc1nc2ccc(-c3cccc(F)c3CO)cn2c1C=O
InChIInChI=1S/C15H12FN3O2.C3H6/c16-12-3-1-2-10(11(12)7-20)9-4-5-14-18-15(17)13(8-21)19(14)6-9;1-2-3-1/h1-6,8,20H,7,17H2;1-3H2
InChIKeyDTYHZHYABXNUGO-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.20
Rot. Bonds3

About 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane

2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane (PubChem CID 162759639) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane.

Molecular Properties

Compound Name2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
PubChem CID162759639
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
SMILESC1CC1.Nc1nc2ccc(-c3cccc(F)c3CO)cn2c1C=O
InChIInChI=1S/C15H12FN3O2.C3H6/c16-12-3-1-2-10(11(12)7-20)9-4-5-14-18-15(17)13(8-21)19(14)6-9;1-2-3-1/h1-6,8,20H,7,17H2;1-3H2
InChIKeyDTYHZHYABXNUGO-UHFFFAOYSA-N
XLogP3.20
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane
CID 162759579
[2-[2-(4-chlorophenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
CID 68640044
2-amino-6-(5-fluoro-1H-indol-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759358
2-amino-8-fluoro-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759634
2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 162759487
2-amino-6-(6-fluoro-1H-indol-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 162759387
2-amino-6-(5-chloro-1H-indol-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759624
[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 164709553
[2-fluoro-6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 67264843
[2-fluoro-6-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 67265509
6-(3-fluoro-2-methylphenyl)-3-methylimidazo[1,2-a]pyridin-2-amine
CID 162759644
N-[6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686210

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane?
The IUPAC name of 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane (CID 162759639) is 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane.
What is the SMILES notation for 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane?
The canonical SMILES for 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane is C1CC1.Nc1nc2ccc(-c3cccc(F)c3CO)cn2c1C=O.
What is the InChIKey of 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane?
The InChIKey is DTYHZHYABXNUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2.C3H6/c16-12-3-1-2-10(11(12)7-20)9-4-5-14-18-15(17)13(8-21)19(14)6-9;1-2-3-1/h1-6,8,20H,7,17H2;1-3H2.
What are the key properties of 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane?
2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane has a molecular weight of 327.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane is sourced from PubChem (CID 162759639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).