1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C17H16ClF4N3O3 — CID 171923994

IUPAC1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC(C1CC1)C1CC1)c1nc(Cl)c2c(F)cccn12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15ClFN3O.C2HF3O2/c16-13-12-10(17)2-1-7-20(12)14(19-13)15(21)18-11(8-3-4-8)9-5-6-9;3-2(4,5)1(6)7/h1-2,7-9,11H,3-6H2,(H,18,21);(H,6,7)
InChIKeyMVALESJATFMDHM-UHFFFAOYSA-N
MW421.78 g/mol
LogP3.68
Rot. Bonds4

About 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171923994) has the molecular formula C17H16ClF4N3O3 and a molecular weight of 421.78 g/mol. Its IUPAC name is 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171923994
Molecular FormulaC17H16ClF4N3O3
Molecular Weight421.78 g/mol
Exact Mass421.08
IUPAC Name1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC(C1CC1)C1CC1)c1nc(Cl)c2c(F)cccn12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15ClFN3O.C2HF3O2/c16-13-12-10(17)2-1-7-20(12)14(19-13)15(21)18-11(8-3-4-8)9-5-6-9;3-2(4,5)1(6)7/h1-2,7-9,11H,3-6H2,(H,18,21);(H,6,7)
InChIKeyMVALESJATFMDHM-UHFFFAOYSA-N
XLogP3.68
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.78
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 171923994) is 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC(C1CC1)C1CC1)c1nc(Cl)c2c(F)cccn12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MVALESJATFMDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O.C2HF3O2/c16-13-12-10(17)2-1-7-20(12)14(19-13)15(21)18-11(8-3-4-8)9-5-6-9;3-2(4,5)1(6)7/h1-2,7-9,11H,3-6H2,(H,18,21);(H,6,7).
What are the key properties of 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 421.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(dicyclopropylmethyl)-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171923994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).