N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid

C25H25F3N6O4 — CID 171694415

IUPACN,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CN1c2cccnc2-n2cccc2C12CCN(C(=O)c1ccccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N6O2.C2HF3O2/c1-26(2)20(30)15-29-18-8-5-12-25-21(18)28-13-6-9-19(28)23(29)10-14-27(16-23)22(31)17-7-3-4-11-24-17;3-2(4,5)1(6)7/h3-9,11-13H,10,14-16H2,1-2H3;(H,6,7)
InChIKeyZSOBOWANEODMIE-UHFFFAOYSA-N
MW530.51 g/mol
LogP2.55
Rot. Bonds3

About N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 171694415) has the molecular formula C25H25F3N6O4 and a molecular weight of 530.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID171694415
Molecular FormulaC25H25F3N6O4
Molecular Weight530.51 g/mol
Exact Mass530.19
IUPAC NameN,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CN1c2cccnc2-n2cccc2C12CCN(C(=O)c1ccccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N6O2.C2HF3O2/c1-26(2)20(30)15-29-18-8-5-12-25-21(18)28-13-6-9-19(28)23(29)10-14-27(16-23)22(31)17-7-3-4-11-24-17;3-2(4,5)1(6)7/h3-9,11-13H,10,14-16H2,1-2H3;(H,6,7)
InChIKeyZSOBOWANEODMIE-UHFFFAOYSA-N
XLogP2.55
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[8-(2-methylpropyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 171693295
[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155867446
2-[1'-(2-ethoxyacetyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155867157
[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-(6-methyl-2-pyridinyl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155867503
[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155867496
1-(8-butylspiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl)-2-ethoxyethanone;2,2,2-trifluoroacetic acid
CID 155868282
N-propan-2-yl-2-[1'-(pyrazine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide
CID 131682710
2-ethoxy-1-[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155867556
[8-(2-fluoroethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155866937
(4-fluorooxan-4-yl)-[8-(2-methylpropyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867518
cyclopentyl-[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867237
cyclobutyl-[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867287

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid (CID 171694415) is N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)CN1c2cccnc2-n2cccc2C12CCN(C(=O)c1ccccn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZSOBOWANEODMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.C2HF3O2/c1-26(2)20(30)15-29-18-8-5-12-25-21(18)28-13-6-9-19(28)23(29)10-14-27(16-23)22(31)17-7-3-4-11-24-17;3-2(4,5)1(6)7/h3-9,11-13H,10,14-16H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 530.51 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1'-(pyridine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171694415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).