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

C19H16F6N4O2 — CID 122194692

IUPAC[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCC(CO)CC1
InChIInChI=1S/C19H16F6N4O2/c20-18(21,22)12-7-14(19(23,24)25)27-16-11(12)1-2-15-26-13(8-29(15)16)17(31)28-5-3-10(9-30)4-6-28/h1-2,7-8,10,30H,3-6,9H2
InChIKeyLZTZSCQNTKLCDN-UHFFFAOYSA-N
MW446.35 g/mol
LogP3.76
Rot. Bonds2

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

[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 122194692) has the molecular formula C19H16F6N4O2 and a molecular weight of 446.35 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID122194692
Molecular FormulaC19H16F6N4O2
Molecular Weight446.35 g/mol
Exact Mass446.12
IUPAC Name[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCC(CO)CC1
InChIInChI=1S/C19H16F6N4O2/c20-18(21,22)12-7-14(19(23,24)25)27-16-11(12)1-2-15-26-13(8-29(15)16)17(31)28-5-3-10(9-30)4-6-28/h1-2,7-8,10,30H,3-6,9H2
InChIKeyLZTZSCQNTKLCDN-UHFFFAOYSA-N
XLogP3.76
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 53.76
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]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 122194692) is [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCC(CO)CC1.
What is the InChIKey of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is LZTZSCQNTKLCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4O2/c20-18(21,22)12-7-14(19(23,24)25)27-16-11(12)1-2-15-26-13(8-29(15)16)17(31)28-5-3-10(9-30)4-6-28/h1-2,7-8,10,30H,3-6,9H2.
What are the key properties of [2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 446.35 g/mol, XLogP of 3.76, 2 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]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 122194692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).