7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

C20H24F3N3O2S — CID 118744012

IUPAC7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(N2CCCC3(CCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C18H23N3S.C2HF3O2/c1-2-9-19-17(6-1)21-10-4-7-18(15-21)8-11-20(14-18)13-16-5-3-12-22-16;3-2(4,5)1(6)7/h1-3,5-6,9,12H,4,7-8,10-11,13-15H2;(H,6,7)
InChIKeyWILHJTKJAACWGL-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.27
Rot. Bonds3

About 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (PubChem CID 118744012) has the molecular formula C20H24F3N3O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
PubChem CID118744012
Molecular FormulaC20H24F3N3O2S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC Name7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(N2CCCC3(CCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C18H23N3S.C2HF3O2/c1-2-9-19-17(6-1)21-10-4-7-18(15-21)8-11-20(14-18)13-16-5-3-12-22-16;3-2(4,5)1(6)7/h1-3,5-6,9,12H,4,7-8,10-11,13-15H2;(H,6,7)
InChIKeyWILHJTKJAACWGL-UHFFFAOYSA-N
XLogP4.27
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[(5-Methyl-2-thienyl)methyl]-4-(2-pyridinyl)piperazine oxalate
CID 2846096
7-Pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742469
9-(Pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 118746991
9-Pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118740792
7-Pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 118742470
7-Pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 118744013
N,N-dimethyl-1-(5-{[8-(2-pyridinyl)-1,8-diazaspiro[4.5]dec-1-yl]methyl}-3-thienyl)methanamine
CID 70785801
9-(2-Methylpropyl)-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118743140
1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118743460
1-[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118745025
2-Pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118745589
7-(5-Fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746778

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (CID 118744012) is 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(N2CCCC3(CCN(Cc4cccs4)C3)C2)nc1.
What is the InChIKey of 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The InChIKey is WILHJTKJAACWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S.C2HF3O2/c1-2-9-19-17(6-1)21-10-4-7-18(15-21)8-11-20(14-18)13-16-5-3-12-22-16;3-2(4,5)1(6)7/h1-3,5-6,9,12H,4,7-8,10-11,13-15H2;(H,6,7).
What are the key properties of 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid has a molecular weight of 427.49 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).