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

C23H25N7O4 — CID 165414854

IUPAC4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCO)c3)nc2n1
InChIInChI=1S/C23H25N7O4/c1-4-28(2)22(33)17-13-24-29(3)20(17)21(32)26-19-8-9-30-14-18(25-23(30)27-19)15-6-5-7-16(12-15)34-11-10-31/h5-9,12-14,31H,4,10-11H2,1-3H3,(H,25,26,27,32)
InChIKeyDQXINSYRTYOKFO-UHFFFAOYSA-N
MW463.50 g/mol
LogP1.85
Rot. Bonds8

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

4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (PubChem CID 165414854) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
PubChem CID165414854
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCO)c3)nc2n1
InChIInChI=1S/C23H25N7O4/c1-4-28(2)22(33)17-13-24-29(3)20(17)21(32)26-19-8-9-30-14-18(25-23(30)27-19)15-6-5-7-16(12-15)34-11-10-31/h5-9,12-14,31H,4,10-11H2,1-3H3,(H,25,26,27,32)
InChIKeyDQXINSYRTYOKFO-UHFFFAOYSA-N
XLogP1.85
TPSA126.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (CID 165414854) is 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCO)c3)nc2n1.
What is the InChIKey of 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The InChIKey is DQXINSYRTYOKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-4-28(2)22(33)17-13-24-29(3)20(17)21(32)26-19-8-9-30-14-18(25-23(30)27-19)15-6-5-7-16(12-15)34-11-10-31/h5-9,12-14,31H,4,10-11H2,1-3H3,(H,25,26,27,32).
What are the key properties of 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165414854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).