bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone

C21H22F2N6O — CID 172686931

IUPACbis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(C1)CN(c1ncccc1F)C2)N1CC2(C1)CN(c1ncccc1F)C2
InChIInChI=1S/C21H22F2N6O/c22-15-3-1-5-24-17(15)26-7-20(8-26)11-28(12-20)19(30)29-13-21(14-29)9-27(10-21)18-16(23)4-2-6-25-18/h1-6H,7-14H2
InChIKeyBDWHCPCSKPMYGN-UHFFFAOYSA-N
MW412.44 g/mol
LogP1.82
Rot. Bonds2

About bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone

bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone (PubChem CID 172686931) has the molecular formula C21H22F2N6O and a molecular weight of 412.44 g/mol. Its IUPAC name is bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Namebis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
PubChem CID172686931
Molecular FormulaC21H22F2N6O
Molecular Weight412.44 g/mol
Exact Mass412.18
IUPAC Namebis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(C1)CN(c1ncccc1F)C2)N1CC2(C1)CN(c1ncccc1F)C2
InChIInChI=1S/C21H22F2N6O/c22-15-3-1-5-24-17(15)26-7-20(8-26)11-28(12-20)19(30)29-13-21(14-29)9-27(10-21)18-16(23)4-2-6-25-18/h1-6H,7-14H2
InChIKeyBDWHCPCSKPMYGN-UHFFFAOYSA-N
XLogP1.82
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
Methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3233010
1-(2-Pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 3233406
N-(2,4-difluorophenyl)-4-(2-pyridinyl)-1-piperazinecarboxamide
CID 803879
2-Pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472517
2-(3-Methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472522
1,3-Dipyridin-2-ylimidazolidin-2-one
CID 12169139
Bis(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 108990349
1,3-Dipyridin-2-yl-1,3-diazinan-2-one
CID 12169138
Bis(pyridyl)carboxamide
CID 17912058
1-(Pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 4043614
4-(3-Fluoropyridin-2-yl)piperazine-1-carbaldehyde
CID 20455073

Frequently Asked Questions

What is the IUPAC name of bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone (CID 172686931) is bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(C1)CN(c1ncccc1F)C2)N1CC2(C1)CN(c1ncccc1F)C2.
What is the InChIKey of bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is BDWHCPCSKPMYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O/c22-15-3-1-5-24-17(15)26-7-20(8-26)11-28(12-20)19(30)29-13-21(14-29)9-27(10-21)18-16(23)4-2-6-25-18/h1-6H,7-14H2.
What are the key properties of bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone?
bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 412.44 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 172686931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).