1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one

C26H22N6O2 — CID 58446962

IUPAC1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one
SMILESCn1ncc(C(=O)CCc2ccccn2)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C26H22N6O2/c1-31-25(21(16-28-31)23(33)11-10-19-9-5-6-13-27-19)24(34)15-20-12-14-32-17-22(30-26(32)29-20)18-7-3-2-4-8-18/h2-9,12-14,16-17H,10-11,15H2,1H3
InChIKeyBMZWIDGKZQSKJA-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.77
Rot. Bonds8

About 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one

1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 58446962) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID58446962
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one
SMILESCn1ncc(C(=O)CCc2ccccn2)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C26H22N6O2/c1-31-25(21(16-28-31)23(33)11-10-19-9-5-6-13-27-19)24(34)15-20-12-14-32-17-22(30-26(32)29-20)18-7-3-2-4-8-18/h2-9,12-14,16-17H,10-11,15H2,1H3
InChIKeyBMZWIDGKZQSKJA-UHFFFAOYSA-N
XLogP3.77
TPSA95.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
CID 58446907
5-[2-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-1-methylpyrazole-4-carboxylic acid
CID 58446951
N-(2-cyanoethyl)-N,1-dimethyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446931
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
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
CID 58446902
N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446953
1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone
CID 58446965
N-ethyl-5-[2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
CID 58446923
4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388568
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide
CID 53469437

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 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) is 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one is Cn1ncc(C(=O)CCc2ccccn2)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is BMZWIDGKZQSKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-31-25(21(16-28-31)23(33)11-10-19-9-5-6-13-27-19)24(34)15-20-12-14-32-17-22(30-26(32)29-20)18-7-3-2-4-8-18/h2-9,12-14,16-17H,10-11,15H2,1H3.
What are the key properties of 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one?
1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 450.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazol-4-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 58446962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).