N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide

C24H24FN3O2 — CID 70944077

IUPACN-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nc(Oc2ccccc2F)n2ccccc12
InChIInChI=1S/C24H24FN3O2/c25-18-5-1-2-7-20(18)30-23-26-21(19-6-3-4-8-28(19)23)22(29)27-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2,(H,27,29)
InChIKeySFJRJUOKATVCQJ-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.96
Rot. Bonds4

About N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide

N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 70944077) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID70944077
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nc(Oc2ccccc2F)n2ccccc12
InChIInChI=1S/C24H24FN3O2/c25-18-5-1-2-7-20(18)30-23-26-21(19-6-3-4-8-28(19)23)22(29)27-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2,(H,27,29)
InChIKeySFJRJUOKATVCQJ-UHFFFAOYSA-N
XLogP4.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide (CID 70944077) is N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(Oc2ccccc2F)n2ccccc12.
What is the InChIKey of N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is SFJRJUOKATVCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-18-5-1-2-7-20(18)30-23-26-21(19-6-3-4-8-28(19)23)22(29)27-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2,(H,27,29).
What are the key properties of N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide?
N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 70944077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).