4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide

C21H19F2N7O2 — CID 87383271

IUPAC4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCN(CCF)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C21H19F2N7O2/c1-28(9-7-22)20(32)15-11-24-29(2)18(15)19(31)26-17-6-8-30-12-16(25-21(30)27-17)13-4-3-5-14(23)10-13/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,26,27,31)
InChIKeyUFKRHTVQZHOKRB-UHFFFAOYSA-N
MW439.43 g/mol
LogP2.56
Rot. Bonds6

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

4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (PubChem CID 87383271) has the molecular formula C21H19F2N7O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is 4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
PubChem CID87383271
Molecular FormulaC21H19F2N7O2
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCN(CCF)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C21H19F2N7O2/c1-28(9-7-22)20(32)15-11-24-29(2)18(15)19(31)26-17-6-8-30-12-16(25-21(30)27-17)13-4-3-5-14(23)10-13/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,26,27,31)
InChIKeyUFKRHTVQZHOKRB-UHFFFAOYSA-N
XLogP2.56
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 71245150
5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 53468241
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-(2-hydroxypropyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 58446793
4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
CID 67384213
(5-carbamoyl-1-methylpyrazole-4-carbonyl)-(2-fluoroethyl)-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-methylazanium
CID 123156727
4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388568
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide
CID 53469437
N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
CID 58446923
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(1-pyridin-3-ylethyl)pyrazole-4,5-dicarboxamide
CID 67392157
N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446931
ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 53467806

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The IUPAC name of 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) is 4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is CN(CCF)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1.
What is the InChIKey of 4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The InChIKey is UFKRHTVQZHOKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O2/c1-28(9-7-22)20(32)15-11-24-29(2)18(15)19(31)26-17-6-8-30-12-16(25-21(30)27-17)13-4-3-5-14(23)10-13/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,26,27,31).
What are the key properties of 4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide has a molecular weight of 439.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 87383271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).