(10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid

C19H20F5N5O3 — CID 118742698

IUPAC(10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccn[nH]1)N1CCC(F)(F)C2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C17H19F2N5O.C2HF3O2/c18-17(19)6-10-24(15(25)13-4-8-21-22-13)12-16(17)5-9-23(11-16)14-3-1-2-7-20-14;3-2(4,5)1(6)7/h1-4,7-8H,5-6,9-12H2,(H,21,22);(H,6,7)
InChIKeySLULCZOQCXDLMN-UHFFFAOYSA-N
MW461.39 g/mol
LogP2.82
Rot. Bonds2

About (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid

(10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118742698) has the molecular formula C19H20F5N5O3 and a molecular weight of 461.39 g/mol. Its IUPAC name is (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID118742698
Molecular FormulaC19H20F5N5O3
Molecular Weight461.39 g/mol
Exact Mass461.15
IUPAC Name(10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccn[nH]1)N1CCC(F)(F)C2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C17H19F2N5O.C2HF3O2/c18-17(19)6-10-24(15(25)13-4-8-21-22-13)12-16(17)5-9-23(11-16)14-3-1-2-7-20-14;3-2(4,5)1(6)7/h1-4,7-8H,5-6,9-12H2,(H,21,22);(H,6,7)
InChIKeySLULCZOQCXDLMN-UHFFFAOYSA-N
XLogP2.82
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid (CID 118742698) is (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccn[nH]1)N1CCC(F)(F)C2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is SLULCZOQCXDLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O.C2HF3O2/c18-17(19)6-10-24(15(25)13-4-8-21-22-13)12-16(17)5-9-23(11-16)14-3-1-2-7-20-14;3-2(4,5)1(6)7/h1-4,7-8H,5-6,9-12H2,(H,21,22);(H,6,7).
What are the key properties of (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
(10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 461.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10,10-difluoro-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).