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

C23H21N7O2 — CID 58446931

IUPACN-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
SMILESCN(CCC#N)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C23H21N7O2/c1-28(11-6-10-24)22(32)18-14-25-29(2)21(18)20(31)13-17-9-12-30-15-19(27-23(30)26-17)16-7-4-3-5-8-16/h3-5,7-9,12,14-15H,6,11,13H2,1-2H3
InChIKeyQQSCRKDTXDDQAS-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.54
Rot. Bonds7

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

N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide (PubChem CID 58446931) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
PubChem CID58446931
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC NameN-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
SMILESCN(CCC#N)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C23H21N7O2/c1-28(11-6-10-24)22(32)18-14-25-29(2)21(18)20(31)13-17-9-12-30-15-19(27-23(30)26-17)16-7-4-3-5-8-16/h3-5,7-9,12,14-15H,6,11,13H2,1-2H3
InChIKeyQQSCRKDTXDDQAS-UHFFFAOYSA-N
XLogP2.54
TPSA109.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446953
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
CID 58446907
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
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-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone
CID 58446911
5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
CID 58446957
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
5-[2-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-1-methylpyrazole-4-carboxylic acid
CID 58446951
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
CID 58446902
1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone
CID 58446965
4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87383271

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide (CID 58446931) is N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide is CN(CCC#N)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The InChIKey is QQSCRKDTXDDQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-28(11-6-10-24)22(32)18-14-25-29(2)21(18)20(31)13-17-9-12-30-15-19(27-23(30)26-17)16-7-4-3-5-8-16/h3-5,7-9,12,14-15H,6,11,13H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58446931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).