1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one

C26H27F2N7O2 — CID 174262152

IUPAC1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1cc2nc(N3CCN(Cc4ccccc4F)CC3)c(-c3cnn(CF)c3)nc2cn1
InChIInChI=1S/C26H27F2N7O2/c1-26(2,37)24(36)21-11-20-22(13-29-21)31-23(18-12-30-35(15-18)16-27)25(32-20)34-9-7-33(8-10-34)14-17-5-3-4-6-19(17)28/h3-6,11-13,15,37H,7-10,14,16H2,1-2H3
InChIKeyWCXQCVDWMOGKHW-UHFFFAOYSA-N
MW507.55 g/mol
LogP3.23
Rot. Bonds7

About 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one

1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 174262152) has the molecular formula C26H27F2N7O2 and a molecular weight of 507.55 g/mol. Its IUPAC name is 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID174262152
Molecular FormulaC26H27F2N7O2
Molecular Weight507.55 g/mol
Exact Mass507.22
IUPAC Name1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1cc2nc(N3CCN(Cc4ccccc4F)CC3)c(-c3cnn(CF)c3)nc2cn1
InChIInChI=1S/C26H27F2N7O2/c1-26(2,37)24(36)21-11-20-22(13-29-21)31-23(18-12-30-35(15-18)16-27)25(32-20)34-9-7-33(8-10-34)14-17-5-3-4-6-19(17)28/h3-6,11-13,15,37H,7-10,14,16H2,1-2H3
InChIKeyWCXQCVDWMOGKHW-UHFFFAOYSA-N
XLogP3.23
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one (CID 174262152) is 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1cc2nc(N3CCN(Cc4ccccc4F)CC3)c(-c3cnn(CF)c3)nc2cn1.
What is the InChIKey of 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is WCXQCVDWMOGKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7O2/c1-26(2,37)24(36)21-11-20-22(13-29-21)31-23(18-12-30-35(15-18)16-27)25(32-20)34-9-7-33(8-10-34)14-17-5-3-4-6-19(17)28/h3-6,11-13,15,37H,7-10,14,16H2,1-2H3.
What are the key properties of 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one?
1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 507.55 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(fluoromethyl)pyrazol-4-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 174262152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).