(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C23H22F8N4O5 — CID 155856748

IUPAC(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CCC(F)(F)C2(CCN(c3cccnc3)C2)C1
InChIInChI=1S/C19H20F2N4O.2C2HF3O2/c20-19(21)6-11-25(17(26)15-3-8-22-9-4-15)14-18(19)5-10-24(13-18)16-2-1-7-23-12-16;2*3-2(4,5)1(6)7/h1-4,7-9,12H,5-6,10-11,13-14H2;2*(H,6,7)
InChIKeySPIPKHUTKIVERB-UHFFFAOYSA-N
MW586.44 g/mol
LogP4.12
Rot. Bonds2

About (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155856748) has the molecular formula C23H22F8N4O5 and a molecular weight of 586.44 g/mol. Its IUPAC name is (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155856748
Molecular FormulaC23H22F8N4O5
Molecular Weight586.44 g/mol
Exact Mass586.15
IUPAC Name(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CCC(F)(F)C2(CCN(c3cccnc3)C2)C1
InChIInChI=1S/C19H20F2N4O.2C2HF3O2/c20-19(21)6-11-25(17(26)15-3-8-22-9-4-15)14-18(19)5-10-24(13-18)16-2-1-7-23-12-16;2*3-2(4,5)1(6)7/h1-4,7-9,12H,5-6,10-11,13-14H2;2*(H,6,7)
InChIKeySPIPKHUTKIVERB-UHFFFAOYSA-N
XLogP4.12
TPSA123.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(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

Related Compounds

6,6-difluoro-2-pyridin-3-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696511
[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 134077535
6,6-difluoro-2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171685860
(10,10-difluoro-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-(1,2-oxazol-5-yl)methanone
CID 134077534
2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 97399378
(9-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827533
(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 155871914
[2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155841616
(5R)-6,6-difluoro-9-(furan-3-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decane
CID 97374384
7-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155827489
pyridin-3-yl-(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844882
pyrazin-2-yl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155853029

Frequently Asked Questions

What is the IUPAC name of (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 155856748) is (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CCC(F)(F)C2(CCN(c3cccnc3)C2)C1.
What is the InChIKey of (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SPIPKHUTKIVERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O.2C2HF3O2/c20-19(21)6-11-25(17(26)15-3-8-22-9-4-15)14-18(19)5-10-24(13-18)16-2-1-7-23-12-16;2*3-2(4,5)1(6)7/h1-4,7-9,12H,5-6,10-11,13-14H2;2*(H,6,7).
What are the key properties of (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 586.44 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155856748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).