1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one

C23H19N7O — CID 58228802

IUPAC1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cn1
InChIInChI=1S/C23H19N7O/c31-20(10-16-4-2-1-3-5-16)11-18-6-7-19(14-25-18)29-22-23-24-8-9-30(23)21(15-26-22)17-12-27-28-13-17/h1-9,12-15H,10-11H2,(H,26,29)(H,27,28)
InChIKeyNSKPLXQEEMNFLB-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.61
Rot. Bonds7

About 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one

1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one (PubChem CID 58228802) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one
PubChem CID58228802
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cn1
InChIInChI=1S/C23H19N7O/c31-20(10-16-4-2-1-3-5-16)11-18-6-7-19(14-25-18)29-22-23-24-8-9-30(23)21(15-26-22)17-12-27-28-13-17/h1-9,12-15H,10-11H2,(H,26,29)(H,27,28)
InChIKeyNSKPLXQEEMNFLB-UHFFFAOYSA-N
XLogP3.61
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one?
The IUPAC name of 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one (CID 58228802) is 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one is O=C(Cc1ccccc1)Cc1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cn1.
What is the InChIKey of 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one?
The InChIKey is NSKPLXQEEMNFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c31-20(10-16-4-2-1-3-5-16)11-18-6-7-19(14-25-18)29-22-23-24-8-9-30(23)21(15-26-22)17-12-27-28-13-17/h1-9,12-15H,10-11H2,(H,26,29)(H,27,28).
What are the key properties of 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one?
1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one has a molecular weight of 409.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 58228802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).