1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea

C21H20F3N5O — CID 172625213

IUPAC1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC2(C1)CN(c1cnn3ccccc13)C2
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)14-4-3-5-15(8-14)26-19(30)27-16-9-20(10-16)12-28(13-20)18-11-25-29-7-2-1-6-17(18)29/h1-8,11,16H,9-10,12-13H2,(H2,26,27,30)
InChIKeyKYJJVNNSZYWKRI-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 172625213) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID172625213
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC2(C1)CN(c1cnn3ccccc13)C2
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)14-4-3-5-15(8-14)26-19(30)27-16-9-20(10-16)12-28(13-20)18-11-25-29-7-2-1-6-17(18)29/h1-8,11,16H,9-10,12-13H2,(H2,26,27,30)
InChIKeyKYJJVNNSZYWKRI-UHFFFAOYSA-N
XLogP4.14
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 172625050
1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 172625069
1-[2-(1-methyl-3-morpholin-4-ylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 172625104
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
1-[4,4-bis(4-chlorophenyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19935172
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156534284
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
1-[(3R)-5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 67780564
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 141202562

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 172625213) is 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)NC1CC2(C1)CN(c1cnn3ccccc13)C2.
What is the InChIKey of 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is KYJJVNNSZYWKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c22-21(23,24)14-4-3-5-15(8-14)26-19(30)27-16-9-20(10-16)12-28(13-20)18-11-25-29-7-2-1-6-17(18)29/h1-8,11,16H,9-10,12-13H2,(H2,26,27,30).
What are the key properties of 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 415.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 172625213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).