[1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate

C18H15FN2O2 — CID 167745344

IUPAC[1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate
SMILESO=C(OC1(Cc2ccc(F)cc2)CC1)c1cccc2cncn12
InChIInChI=1S/C18H15FN2O2/c19-14-6-4-13(5-7-14)10-18(8-9-18)23-17(22)16-3-1-2-15-11-20-12-21(15)16/h1-7,11-12H,8-10H2
InChIKeySQFWKMGAUDZSQF-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.41
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate

[1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 167745344) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate
PubChem CID167745344
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name[1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate
SMILESO=C(OC1(Cc2ccc(F)cc2)CC1)c1cccc2cncn12
InChIInChI=1S/C18H15FN2O2/c19-14-6-4-13(5-7-14)10-18(8-9-18)23-17(22)16-3-1-2-15-11-20-12-21(15)16/h1-7,11-12H,8-10H2
InChIKeySQFWKMGAUDZSQF-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate (CID 167745344) is [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate is O=C(OC1(Cc2ccc(F)cc2)CC1)c1cccc2cncn12.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is SQFWKMGAUDZSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-14-6-4-13(5-7-14)10-18(8-9-18)23-17(22)16-3-1-2-15-11-20-12-21(15)16/h1-7,11-12H,8-10H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate?
[1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]cyclopropyl] imidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 167745344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).