3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea

C21H25N7O3 — CID 172625025

IUPAC3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
SMILESCN(C(=O)Nc1cc(C2CC2)no1)C1CC2(C1)CN(C(=O)c1cnn3ccn(C)c13)C2
InChIInChI=1S/C21H25N7O3/c1-25-5-6-28-18(25)15(10-22-28)19(29)27-11-21(12-27)8-14(9-21)26(2)20(30)23-17-7-16(24-31-17)13-3-4-13/h5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3,(H,23,30)
InChIKeyAGWHNLXJHATNNQ-UHFFFAOYSA-N
MW423.48 g/mol
LogP2.31
Rot. Bonds4

About 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea

3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea (PubChem CID 172625025) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
PubChem CID172625025
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
SMILESCN(C(=O)Nc1cc(C2CC2)no1)C1CC2(C1)CN(C(=O)c1cnn3ccn(C)c13)C2
InChIInChI=1S/C21H25N7O3/c1-25-5-6-28-18(25)15(10-22-28)19(29)27-11-21(12-27)8-14(9-21)26(2)20(30)23-17-7-16(24-31-17)13-3-4-13/h5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3,(H,23,30)
InChIKeyAGWHNLXJHATNNQ-UHFFFAOYSA-N
XLogP2.31
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea with MolForge

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Related Compounds

1-Methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
CID 172625067
1-Methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]urea
CID 172625128
1-Methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
CID 172625296
N-[(3-isopropylisoxazol-5-yl)methyl]-N,1-dimethyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50953672
7-{[2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-yl]carbonyl}-1-methyl-1H-imidazo[1,2-b]pyrazole
CID 50961298
N-(2-(1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-5-cyclopropylisoxazole-3-carboxamide
CID 76148287
3-(3-Tert-butyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625015
3-(5-Tert-butyl-1,2-oxazol-3-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625307
N-[(5-isobutylisoxazol-3-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50956421
7-{[2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-yl]carbonyl}-1-methyl-1H-imidazo[1,2-b]pyrazole
CID 50977393
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 95126027
[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 95126028

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea?
The IUPAC name of 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea (CID 172625025) is 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea.
What is the SMILES notation for 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea?
The canonical SMILES for 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea is CN(C(=O)Nc1cc(C2CC2)no1)C1CC2(C1)CN(C(=O)c1cnn3ccn(C)c13)C2.
What is the InChIKey of 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea?
The InChIKey is AGWHNLXJHATNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-25-5-6-28-18(25)15(10-22-28)19(29)27-11-21(12-27)8-14(9-21)26(2)20(30)23-17-7-16(24-31-17)13-3-4-13/h5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3,(H,23,30).
What are the key properties of 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea?
3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea has a molecular weight of 423.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea is sourced from PubChem (CID 172625025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).