N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C23H26F3N3O3 — CID 171930965

IUPACN-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nc(C2CC2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N3O.C2HF3O2/c25-20(23-21-10-13-7-14(11-21)9-15(8-13)12-21)18-17-3-1-2-6-24(17)19(22-18)16-4-5-16;3-2(4,5)1(6)7/h1-3,6,13-16H,4-5,7-12H2,(H,23,25);(H,6,7)
InChIKeyJUQHHQYUCQYXMY-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.54
Rot. Bonds3

About N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171930965) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171930965
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC NameN-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nc(C2CC2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N3O.C2HF3O2/c25-20(23-21-10-13-7-14(11-21)9-15(8-13)12-21)18-17-3-1-2-6-24(17)19(22-18)16-4-5-16;3-2(4,5)1(6)7/h1-3,6,13-16H,4-5,7-12H2,(H,23,25);(H,6,7)
InChIKeyJUQHHQYUCQYXMY-UHFFFAOYSA-N
XLogP4.54
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 171930965) is N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(C2CC2)n2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JUQHHQYUCQYXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C2HF3O2/c25-20(23-21-10-13-7-14(11-21)9-15(8-13)12-21)18-17-3-1-2-6-24(17)19(22-18)16-4-5-16;3-2(4,5)1(6)7/h1-3,6,13-16H,4-5,7-12H2,(H,23,25);(H,6,7).
What are the key properties of N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.47 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171930965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).