[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone

C18H15F6N5O — CID 122194825

IUPAC[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CCN1
InChIInChI=1S/C18H15F6N5O/c1-9-7-28(5-4-25-9)16(30)12-8-29-14(26-12)3-2-10-11(17(19,20)21)6-13(18(22,23)24)27-15(10)29/h2-3,6,8-9,25H,4-5,7H2,1H3
InChIKeyDEDWTXVFVFTUNC-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.35
Rot. Bonds1

About [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone

[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone (PubChem CID 122194825) has the molecular formula C18H15F6N5O and a molecular weight of 431.34 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone
PubChem CID122194825
Molecular FormulaC18H15F6N5O
Molecular Weight431.34 g/mol
Exact Mass431.12
IUPAC Name[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CCN1
InChIInChI=1S/C18H15F6N5O/c1-9-7-28(5-4-25-9)16(30)12-8-29-14(26-12)3-2-10-11(17(19,20)21)6-13(18(22,23)24)27-15(10)29/h2-3,6,8-9,25H,4-5,7H2,1H3
InChIKeyDEDWTXVFVFTUNC-UHFFFAOYSA-N
XLogP3.35
TPSA62.53 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone (CID 122194825) is [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CCN1.
What is the InChIKey of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone?
The InChIKey is DEDWTXVFVFTUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5O/c1-9-7-28(5-4-25-9)16(30)12-8-29-14(26-12)3-2-10-11(17(19,20)21)6-13(18(22,23)24)27-15(10)29/h2-3,6,8-9,25H,4-5,7H2,1H3.
What are the key properties of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone?
[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone has a molecular weight of 431.34 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 122194825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).