1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

C22H20F3N5O2 — CID 172625050

IUPAC1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC2(C1)CN(C(=O)c1cnc3ccccn13)C2
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)14-4-3-5-15(8-14)27-20(32)28-16-9-21(10-16)12-29(13-21)19(31)17-11-26-18-6-1-2-7-30(17)18/h1-8,11,16H,9-10,12-13H2,(H2,27,28,32)
InChIKeyVJNNEVPJHFMZIA-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.78
Rot. Bonds3

About 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 172625050) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID172625050
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC2(C1)CN(C(=O)c1cnc3ccccn13)C2
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)14-4-3-5-15(8-14)27-20(32)28-16-9-21(10-16)12-29(13-21)19(31)17-11-26-18-6-1-2-7-30(17)18/h1-8,11,16H,9-10,12-13H2,(H2,27,28,32)
InChIKeyVJNNEVPJHFMZIA-UHFFFAOYSA-N
XLogP3.78
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrazolo[1,5-a]pyridin-3-yl-2-azaspiro[3.3]heptan-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 172625213
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
6-(imidazo[1,2-a]pyridine-3-carbonyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143172
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
imidazo[1,2-a]pyridin-3-yl-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553406
imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553405
1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]urea
CID 172625043
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
1-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625197
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 172625050) is 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)NC1CC2(C1)CN(C(=O)c1cnc3ccccn13)C2.
What is the InChIKey of 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VJNNEVPJHFMZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-22(24,25)14-4-3-5-15(8-14)27-20(32)28-16-9-21(10-16)12-29(13-21)19(31)17-11-26-18-6-1-2-7-30(17)18/h1-8,11,16H,9-10,12-13H2,(H2,27,28,32).
What are the key properties of 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 443.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 172625050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).