ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate

C22H22N6O3 — CID 166155984

IUPACethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N3CCOCC3)cc(-n3ccc(-c4ccccc4)n3)nc2n1
InChIInChI=1S/C22H22N6O3/c1-2-31-21(29)18-15-27-20(26-10-12-30-13-11-26)14-19(24-22(27)23-18)28-9-8-17(25-28)16-6-4-3-5-7-16/h3-9,14-15H,2,10-13H2,1H3
InChIKeyFZDWFALFPZIOSN-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.60
Rot. Bonds5

About ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate

ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 166155984) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID166155984
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Nameethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N3CCOCC3)cc(-n3ccc(-c4ccccc4)n3)nc2n1
InChIInChI=1S/C22H22N6O3/c1-2-31-21(29)18-15-27-20(26-10-12-30-13-11-26)14-19(24-22(27)23-18)28-9-8-17(25-28)16-6-4-3-5-7-16/h3-9,14-15H,2,10-13H2,1H3
InChIKeyFZDWFALFPZIOSN-UHFFFAOYSA-N
XLogP2.60
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165086
5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165027
N-cyclopentyl-7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165038
7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid
CID 166156177
ethyl 7-morpholin-4-yl-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 155343157
N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165077
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate
CID 71273464
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266571
ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992766
4-[2-(2,5-dimethylpyrazol-3-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064352
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967

Frequently Asked Questions

What is the IUPAC name of ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate (CID 166155984) is ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(N3CCOCC3)cc(-n3ccc(-c4ccccc4)n3)nc2n1.
What is the InChIKey of ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is FZDWFALFPZIOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-2-31-21(29)18-15-27-20(26-10-12-30-13-11-26)14-19(24-22(27)23-18)28-9-8-17(25-28)16-6-4-3-5-7-16/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 418.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-morpholin-4-yl-7-(3-phenylpyrazol-1-yl)imidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 166155984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).