N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide

C23H23FN6O3 — CID 58446923

IUPACN-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3cccc(OCF)c3)nc2n1
InChIInChI=1S/C23H23FN6O3/c1-4-28(2)22(32)18-12-25-29(3)21(18)20(31)11-16-8-9-30-13-19(27-23(30)26-16)15-6-5-7-17(10-15)33-14-24/h5-10,12-13H,4,11,14H2,1-3H3
InChIKeyILCIWDYXMDSFFQ-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.95
Rot. Bonds8

About N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide

N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 58446923) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID58446923
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC NameN-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3cccc(OCF)c3)nc2n1
InChIInChI=1S/C23H23FN6O3/c1-4-28(2)22(32)18-12-25-29(3)21(18)20(31)11-16-8-9-30-13-19(27-23(30)26-16)15-6-5-7-17(10-15)33-14-24/h5-10,12-13H,4,11,14H2,1-3H3
InChIKeyILCIWDYXMDSFFQ-UHFFFAOYSA-N
XLogP2.95
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide (CID 58446923) is N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide is CCN(C)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3cccc(OCF)c3)nc2n1.
What is the InChIKey of N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is ILCIWDYXMDSFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-4-28(2)22(32)18-12-25-29(3)21(18)20(31)11-16-8-9-30-13-19(27-23(30)26-16)15-6-5-7-17(10-15)33-14-24/h5-10,12-13H,4,11,14H2,1-3H3.
What are the key properties of N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide?
N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 58446923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).