2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

C21H21N9O — CID 129116709

IUPAC2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCc1cccc(CN2CCn3cc(-c4ccnc(Nc5ccnn5C)n4)nc3C2=O)n1
InChIInChI=1S/C21H21N9O/c1-14-4-3-5-15(24-14)12-30-11-10-29-13-17(25-19(29)20(30)31)16-6-8-22-21(26-16)27-18-7-9-23-28(18)2/h3-9,13H,10-12H2,1-2H3,(H,22,26,27)
InChIKeyGBKAYGXNHRHDFP-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (PubChem CID 129116709) has the molecular formula C21H21N9O and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
PubChem CID129116709
Molecular FormulaC21H21N9O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCc1cccc(CN2CCn3cc(-c4ccnc(Nc5ccnn5C)n4)nc3C2=O)n1
InChIInChI=1S/C21H21N9O/c1-14-4-3-5-15(24-14)12-30-11-10-29-13-17(25-19(29)20(30)31)16-6-8-22-21(26-16)27-18-7-9-23-28(18)2/h3-9,13H,10-12H2,1-2H3,(H,22,26,27)
InChIKeyGBKAYGXNHRHDFP-UHFFFAOYSA-N
XLogP2.18
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (CID 129116709) is 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is Cc1cccc(CN2CCn3cc(-c4ccnc(Nc5ccnn5C)n4)nc3C2=O)n1.
What is the InChIKey of 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is GBKAYGXNHRHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O/c1-14-4-3-5-15(24-14)12-30-11-10-29-13-17(25-19(29)20(30)31)16-6-8-22-21(26-16)27-18-7-9-23-28(18)2/h3-9,13H,10-12H2,1-2H3,(H,22,26,27).
What are the key properties of 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 415.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129116709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).