1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine

C20H15ClF3N5 — CID 118663600

IUPAC1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine
SMILESCC(N)c1cccc(-c2cc(Cl)c3cnc(-c4cccc(C(F)(F)F)n4)n3c2)n1
InChIInChI=1S/C20H15ClF3N5/c1-11(25)14-4-2-5-15(27-14)12-8-13(21)17-9-26-19(29(17)10-12)16-6-3-7-18(28-16)20(22,23)24/h2-11H,25H2,1H3
InChIKeyIGBKRUBCXYJDPB-UHFFFAOYSA-N
MW417.82 g/mol
LogP5.15
Rot. Bonds3

About 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine

1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118663600) has the molecular formula C20H15ClF3N5 and a molecular weight of 417.82 g/mol. Its IUPAC name is 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine
PubChem CID118663600
Molecular FormulaC20H15ClF3N5
Molecular Weight417.82 g/mol
Exact Mass417.10
IUPAC Name1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine
SMILESCC(N)c1cccc(-c2cc(Cl)c3cnc(-c4cccc(C(F)(F)F)n4)n3c2)n1
InChIInChI=1S/C20H15ClF3N5/c1-11(25)14-4-2-5-15(27-14)12-8-13(21)17-9-26-19(29(17)10-12)16-6-3-7-18(28-16)20(22,23)24/h2-11H,25H2,1H3
InChIKeyIGBKRUBCXYJDPB-UHFFFAOYSA-N
XLogP5.15
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine (CID 118663600) is 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine is CC(N)c1cccc(-c2cc(Cl)c3cnc(-c4cccc(C(F)(F)F)n4)n3c2)n1.
What is the InChIKey of 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is IGBKRUBCXYJDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5/c1-11(25)14-4-2-5-15(27-14)12-8-13(21)17-9-26-19(29(17)10-12)16-6-3-7-18(28-16)20(22,23)24/h2-11H,25H2,1H3.
What are the key properties of 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine?
1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 417.82 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[8-chloro-3-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118663600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).