(4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone

C18H15F6N5O — CID 122194820

IUPAC(4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone
SMILESNC1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CC1
InChIInChI=1S/C18H15F6N5O/c19-17(20,21)11-7-13(18(22,23)24)27-15-10(11)1-2-14-26-12(8-29(14)15)16(30)28-5-3-9(25)4-6-28/h1-2,7-9H,3-6,25H2
InChIKeyBWNUENBNVNGXFO-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.48
Rot. Bonds1

About (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone

(4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone (PubChem CID 122194820) has the molecular formula C18H15F6N5O and a molecular weight of 431.34 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone
PubChem CID122194820
Molecular FormulaC18H15F6N5O
Molecular Weight431.34 g/mol
Exact Mass431.12
IUPAC Name(4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone
SMILESNC1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CC1
InChIInChI=1S/C18H15F6N5O/c19-17(20,21)11-7-13(18(22,23)24)27-15-10(11)1-2-14-26-12(8-29(14)15)16(30)28-5-3-9(25)4-6-28/h1-2,7-9H,3-6,25H2
InChIKeyBWNUENBNVNGXFO-UHFFFAOYSA-N
XLogP3.48
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone (CID 122194820) is (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone is NC1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone?
The InChIKey is BWNUENBNVNGXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5O/c19-17(20,21)11-7-13(18(22,23)24)27-15-10(11)1-2-14-26-12(8-29(14)15)16(30)28-5-3-9(25)4-6-28/h1-2,7-9H,3-6,25H2.
What are the key properties of (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone?
(4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone has a molecular weight of 431.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]methanone is sourced from PubChem (CID 122194820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).