1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide

C18H18F3N5O2 — CID 90588663

IUPAC1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C18H18F3N5O2/c1-3-25-10-13(15(27)12-5-4-11(2)23-16(12)25)17(28)22-7-9-26-8-6-14(24-26)18(19,20)21/h4-6,8,10H,3,7,9H2,1-2H3,(H,22,28)
InChIKeyDVMGWMQTJXQVCG-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.37
Rot. Bonds5

About 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 90588663) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide
PubChem CID90588663
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C18H18F3N5O2/c1-3-25-10-13(15(27)12-5-4-11(2)23-16(12)25)17(28)22-7-9-26-8-6-14(24-26)18(19,20)21/h4-6,8,10H,3,7,9H2,1-2H3,(H,22,28)
InChIKeyDVMGWMQTJXQVCG-UHFFFAOYSA-N
XLogP2.37
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide (CID 90588663) is 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is DVMGWMQTJXQVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-3-25-10-13(15(27)12-5-4-11(2)23-16(12)25)17(28)22-7-9-26-8-6-14(24-26)18(19,20)21/h4-6,8,10H,3,7,9H2,1-2H3,(H,22,28).
What are the key properties of 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 90588663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).