1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone

C28H24N6O2 — CID 58446911

IUPAC1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Cc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1
InChIInChI=1S/C28H24N6O2/c1-32-26(23(17-29-32)27(36)33-12-6-13-33)25(35)16-22-11-14-34-18-24(31-28(34)30-22)21-10-5-9-20(15-21)19-7-3-2-4-8-19/h2-5,7-11,14-15,17-18H,6,12-13,16H2,1H3
InChIKeyBFKKTOPCXHPRDC-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.07
Rot. Bonds6

About 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone

1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone (PubChem CID 58446911) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone
PubChem CID58446911
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Cc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1
InChIInChI=1S/C28H24N6O2/c1-32-26(23(17-29-32)27(36)33-12-6-13-33)25(35)16-22-11-14-34-18-24(31-28(34)30-22)21-10-5-9-20(15-21)19-7-3-2-4-8-19/h2-5,7-11,14-15,17-18H,6,12-13,16H2,1H3
InChIKeyBFKKTOPCXHPRDC-UHFFFAOYSA-N
XLogP4.07
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone (CID 58446911) is 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone is Cn1ncc(C(=O)N2CCC2)c1C(=O)Cc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1.
What is the InChIKey of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone?
The InChIKey is BFKKTOPCXHPRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-32-26(23(17-29-32)27(36)33-12-6-13-33)25(35)16-22-11-14-34-18-24(31-28(34)30-22)21-10-5-9-20(15-21)19-7-3-2-4-8-19/h2-5,7-11,14-15,17-18H,6,12-13,16H2,1H3.
What are the key properties of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone?
1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone has a molecular weight of 476.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 58446911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).