ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate

C21H20N6O3 — CID 53467806

IUPACethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H20N6O3/c1-3-27-18(15(12-22-27)20(29)30-4-2)19(28)24-17-10-11-26-13-16(23-21(26)25-17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,23,24,25,28)
InChIKeyVMQDPJCFSPCFLL-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.04
Rot. Bonds6

About ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate

ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate (PubChem CID 53467806) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
PubChem CID53467806
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Nameethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H20N6O3/c1-3-27-18(15(12-22-27)20(29)30-4-2)19(28)24-17-10-11-26-13-16(23-21(26)25-17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,23,24,25,28)
InChIKeyVMQDPJCFSPCFLL-UHFFFAOYSA-N
XLogP3.04
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-ethyl-3-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 67388015
4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388568
1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67041914
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67063184
4-N-(2-hydroxypropyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 58446793
1-methyl-4-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-3-carboxylic acid
CID 67391783
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide
CID 53469437
N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446953
4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide
CID 67388723
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(1-pyridin-3-ylethyl)pyrazole-4,5-dicarboxamide
CID 67392157
5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 71245150

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate (CID 53467806) is ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The InChIKey is VMQDPJCFSPCFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-3-27-18(15(12-22-27)20(29)30-4-2)19(28)24-17-10-11-26-13-16(23-21(26)25-17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,23,24,25,28).
What are the key properties of ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate?
ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate has a molecular weight of 404.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 53467806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).