N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)

C24H26F9N5O8 — CID 118747253

IUPACN-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O2.3C2HF3O2/c1-19-16(24)15-13-23-10-7-21-17(23)18(25-15)4-8-22(9-5-18)12-14-3-2-6-20-11-14;3*3-2(4,5)1(6)7/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,19,24);3*(H,6,7)
InChIKeyBHLZXGHCKMMTEL-UHFFFAOYSA-N
MW683.48 g/mol
LogP2.81
Rot. Bonds3

About N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)

N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747253) has the molecular formula C24H26F9N5O8 and a molecular weight of 683.48 g/mol. Its IUPAC name is N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)
PubChem CID118747253
Molecular FormulaC24H26F9N5O8
Molecular Weight683.48 g/mol
Exact Mass683.16
IUPAC NameN-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O2.3C2HF3O2/c1-19-16(24)15-13-23-10-7-21-17(23)18(25-15)4-8-22(9-5-18)12-14-3-2-6-20-11-14;3*3-2(4,5)1(6)7/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,19,24);3*(H,6,7)
InChIKeyBHLZXGHCKMMTEL-UHFFFAOYSA-N
XLogP2.81
TPSA184.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500683.48
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid) (CID 118747253) is N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid) is CNC(=O)C1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is BHLZXGHCKMMTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.3C2HF3O2/c1-19-16(24)15-13-23-10-7-21-17(23)18(25-15)4-8-22(9-5-18)12-14-3-2-6-20-11-14;3*3-2(4,5)1(6)7/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,19,24);3*(H,6,7).
What are the key properties of N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid)?
N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 683.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).