4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide

C22H22F3N9O — CID 56942794

IUPAC4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2nnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1
InChIInChI=1S/C22H22F3N9O/c1-2-27-21(35)33-7-5-13(6-8-33)34-19-17(31-32-34)11-28-16-4-3-15(30-18(16)19)12-9-14(22(23,24)25)20(26)29-10-12/h3-4,9-11,13H,2,5-8H2,1H3,(H2,26,29)(H,27,35)
InChIKeyASMZOZJBENBXFF-UHFFFAOYSA-N
MW485.47 g/mol
LogP3.40
Rot. Bonds3

About 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide

4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide (PubChem CID 56942794) has the molecular formula C22H22F3N9O and a molecular weight of 485.47 g/mol. Its IUPAC name is 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide
PubChem CID56942794
Molecular FormulaC22H22F3N9O
Molecular Weight485.47 g/mol
Exact Mass485.19
IUPAC Name4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2nnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1
InChIInChI=1S/C22H22F3N9O/c1-2-27-21(35)33-7-5-13(6-8-33)34-19-17(31-32-34)11-28-16-4-3-15(30-18(16)19)12-9-14(22(23,24)25)20(26)29-10-12/h3-4,9-11,13H,2,5-8H2,1H3,(H2,26,29)(H,27,35)
InChIKeyASMZOZJBENBXFF-UHFFFAOYSA-N
XLogP3.40
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide (CID 56942794) is 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(n2nnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1.
What is the InChIKey of 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is ASMZOZJBENBXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N9O/c1-2-27-21(35)33-7-5-13(6-8-33)34-19-17(31-32-34)11-28-16-4-3-15(30-18(16)19)12-9-14(22(23,24)25)20(26)29-10-12/h3-4,9-11,13H,2,5-8H2,1H3,(H2,26,29)(H,27,35).
What are the key properties of 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide?
4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]triazolo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 56942794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).