2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde

C20H18FN3O2 — CID 118956700

IUPAC2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde
SMILESCn1cnc(-c2cc(C=O)ccn2)c1-c1ccc(F)cc1OCC1CC1
InChIInChI=1S/C20H18FN3O2/c1-24-12-23-19(17-8-14(10-25)6-7-22-17)20(24)16-5-4-15(21)9-18(16)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3
InChIKeyFFFOWUNIDRZMGR-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.89
Rot. Bonds6

About 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde

2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde (PubChem CID 118956700) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde
PubChem CID118956700
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde
SMILESCn1cnc(-c2cc(C=O)ccn2)c1-c1ccc(F)cc1OCC1CC1
InChIInChI=1S/C20H18FN3O2/c1-24-12-23-19(17-8-14(10-25)6-7-22-17)20(24)16-5-4-15(21)9-18(16)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3
InChIKeyFFFOWUNIDRZMGR-UHFFFAOYSA-N
XLogP3.89
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]-4-(5-iodo-1-methyltriazol-4-yl)pyridine
CID 145046249
2-[5-[2-(cyclopropylmethoxy)-4-ethenylphenyl]-1-methylimidazol-4-yl]-4-ethynylpyridine
CID 130453050
2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288277
2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288290
2-[5-fluoro-2-[3-methyl-5-[4-(5-methyl-2H-triazol-4-yl)-2-pyridinyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 121288284
[2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol
CID 118956718
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
CID 117407229
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-fluoro-2-methylisoquinolin-1-one
CID 118022951
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde?
The IUPAC name of 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde (CID 118956700) is 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde is Cn1cnc(-c2cc(C=O)ccn2)c1-c1ccc(F)cc1OCC1CC1.
What is the InChIKey of 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde?
The InChIKey is FFFOWUNIDRZMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-24-12-23-19(17-8-14(10-25)6-7-22-17)20(24)16-5-4-15(21)9-18(16)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3.
What are the key properties of 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde?
2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde has a molecular weight of 351.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine-4-carbaldehyde is sourced from PubChem (CID 118956700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).