N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide

C23H24N6O2 — CID 58446953

IUPACN,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(CC)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C23H24N6O2/c1-4-27(3)22(31)18-14-24-29(5-2)21(18)20(30)13-17-11-12-28-15-19(26-23(28)25-17)16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3
InChIKeySZVZUVJHLFTDKN-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.13
Rot. Bonds7

About N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide

N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide (PubChem CID 58446953) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
PubChem CID58446953
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(CC)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C23H24N6O2/c1-4-27(3)22(31)18-14-24-29(5-2)21(18)20(30)13-17-11-12-28-15-19(26-23(28)25-17)16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3
InChIKeySZVZUVJHLFTDKN-UHFFFAOYSA-N
XLogP3.13
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446966
N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446931
N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
CID 58446923
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
CID 58446907
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
CID 58446902
1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one
CID 58446962
1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone
CID 58446911
ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 53467806
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide
CID 123420989
5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
CID 58446957
1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67041914

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The IUPAC name of N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide (CID 58446953) is N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide is CCN(C)C(=O)c1cnn(CC)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The InChIKey is SZVZUVJHLFTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-4-27(3)22(31)18-14-24-29(5-2)21(18)20(30)13-17-11-12-28-15-19(26-23(28)25-17)16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3.
What are the key properties of N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58446953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).