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

C22H19N7O2 — CID 58446966

IUPACN-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
SMILESCN(CC#N)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C22H19N7O2/c1-27(11-9-23)21(31)17-13-24-28(2)20(17)19(30)12-16-8-10-29-14-18(26-22(29)25-16)15-6-4-3-5-7-15/h3-8,10,13-14H,11-12H2,1-2H3
InChIKeyHFKJBEHKMZWCBJ-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.15
Rot. Bonds6

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

N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide (PubChem CID 58446966) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
PubChem CID58446966
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
SMILESCN(CC#N)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C22H19N7O2/c1-27(11-9-23)21(31)17-13-24-28(2)20(17)19(30)12-16-8-10-29-14-18(26-22(29)25-16)15-6-4-3-5-7-15/h3-8,10,13-14H,11-12H2,1-2H3
InChIKeyHFKJBEHKMZWCBJ-UHFFFAOYSA-N
XLogP2.15
TPSA109.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446931
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
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-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
CID 58446957
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-hydroxypropyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 58446793

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide (CID 58446966) is N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide is CN(CC#N)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
The InChIKey is HFKJBEHKMZWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-27(11-9-23)21(31)17-13-24-28(2)20(17)19(30)12-16-8-10-29-14-18(26-22(29)25-16)15-6-4-3-5-7-15/h3-8,10,13-14H,11-12H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide?
N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58446966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).