2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

C19H22F3N5O2 — CID 118743661

IUPAC2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(N2CCC3(CCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C17H21N5.C2HF3O2/c1-2-8-18-15(5-1)21-12-7-17(13-21)6-3-11-22(14-17)16-19-9-4-10-20-16;3-2(4,5)1(6)7/h1-2,4-5,8-10H,3,6-7,11-14H2;(H,6,7)
InChIKeyXIEJVWNMWKMQQQ-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.00
Rot. Bonds2

About 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (PubChem CID 118743661) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
PubChem CID118743661
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(N2CCC3(CCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C17H21N5.C2HF3O2/c1-2-8-18-15(5-1)21-12-7-17(13-21)6-3-11-22(14-17)16-19-9-4-10-20-16;3-2(4,5)1(6)7/h1-2,4-5,8-10H,3,6-7,11-14H2;(H,6,7)
InChIKeyXIEJVWNMWKMQQQ-UHFFFAOYSA-N
XLogP3.00
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (CID 118743661) is 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(N2CCC3(CCCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The InChIKey is XIEJVWNMWKMQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5.C2HF3O2/c1-2-8-18-15(5-1)21-12-7-17(13-21)6-3-11-22(14-17)16-19-9-4-10-20-16;3-2(4,5)1(6)7/h1-2,4-5,8-10H,3,6-7,11-14H2;(H,6,7).
What are the key properties of 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid has a molecular weight of 409.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).