1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one

C20H16F3N5O — CID 170968185

IUPAC1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(N)cc3n3cc(C(F)(F)F)nc23)cn1
InChIInChI=1S/C20H16F3N5O/c1-3-16(29)14-4-10(2)13(8-25-14)12-5-11-7-26-18(24)6-15(11)28-9-17(20(21,22)23)27-19(12)28/h4-9H,3H2,1-2H3,(H2,24,26)
InChIKeySWQBFICGCFZVQO-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.45
Rot. Bonds3

About 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one

1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one (PubChem CID 170968185) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one
PubChem CID170968185
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(N)cc3n3cc(C(F)(F)F)nc23)cn1
InChIInChI=1S/C20H16F3N5O/c1-3-16(29)14-4-10(2)13(8-25-14)12-5-11-7-26-18(24)6-15(11)28-9-17(20(21,22)23)27-19(12)28/h4-9H,3H2,1-2H3,(H2,24,26)
InChIKeySWQBFICGCFZVQO-UHFFFAOYSA-N
XLogP4.45
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one (CID 170968185) is 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one is CCC(=O)c1cc(C)c(-c2cc3cnc(N)cc3n3cc(C(F)(F)F)nc23)cn1.
What is the InChIKey of 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one?
The InChIKey is SWQBFICGCFZVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-3-16(29)14-4-10(2)13(8-25-14)12-5-11-7-26-18(24)6-15(11)28-9-17(20(21,22)23)27-19(12)28/h4-9H,3H2,1-2H3,(H2,24,26).
What are the key properties of 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one?
1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one has a molecular weight of 399.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[8-amino-2-(trifluoromethyl)imidazo[1,2-a][1,6]naphthyridin-4-yl]-4-methyl-2-pyridinyl]propan-1-one is sourced from PubChem (CID 170968185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).