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

C17H13F6N5O — CID 122194824

IUPAC[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCNCC1
InChIInChI=1S/C17H13F6N5O/c18-16(19,20)10-7-12(17(21,22)23)26-14-9(10)1-2-13-25-11(8-28(13)14)15(29)27-5-3-24-4-6-27/h1-2,7-8,24H,3-6H2
InChIKeyYILRVMWPNFJIEI-UHFFFAOYSA-N
MW417.31 g/mol
LogP2.97
Rot. Bonds1

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

[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone (PubChem CID 122194824) has the molecular formula C17H13F6N5O and a molecular weight of 417.31 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone
PubChem CID122194824
Molecular FormulaC17H13F6N5O
Molecular Weight417.31 g/mol
Exact Mass417.10
IUPAC Name[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCNCC1
InChIInChI=1S/C17H13F6N5O/c18-16(19,20)10-7-12(17(21,22)23)26-14-9(10)1-2-13-25-11(8-28(13)14)15(29)27-5-3-24-4-6-27/h1-2,7-8,24H,3-6H2
InChIKeyYILRVMWPNFJIEI-UHFFFAOYSA-N
XLogP2.97
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 52.97
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]-piperazin-1-ylmethanone?
The IUPAC name of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone (CID 122194824) is [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone is O=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCNCC1.
What is the InChIKey of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is YILRVMWPNFJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N5O/c18-16(19,20)10-7-12(17(21,22)23)26-14-9(10)1-2-13-25-11(8-28(13)14)15(29)27-5-3-24-4-6-27/h1-2,7-8,24H,3-6H2.
What are the key properties of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone?
[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 417.31 g/mol, XLogP of 2.97, 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]-piperazin-1-ylmethanone is sourced from PubChem (CID 122194824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).