1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol

C26H32F2N6O2 — CID 177191129

IUPAC1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cc2nc(N3CCN(Cc4cc(F)ccc4F)CC3)c(NC3CCOC3)nc2cn1
InChIInChI=1S/C26H32F2N6O2/c1-26(2,35)13-20-12-22-23(14-29-20)31-24(30-19-5-10-36-16-19)25(32-22)34-8-6-33(7-9-34)15-17-11-18(27)3-4-21(17)28/h3-4,11-12,14,19,35H,5-10,13,15-16H2,1-2H3,(H,30,31)
InChIKeyMCXGXLKMXXYOBN-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.14
Rot. Bonds7

About 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol

1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol (PubChem CID 177191129) has the molecular formula C26H32F2N6O2 and a molecular weight of 498.58 g/mol. Its IUPAC name is 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
PubChem CID177191129
Molecular FormulaC26H32F2N6O2
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC Name1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cc2nc(N3CCN(Cc4cc(F)ccc4F)CC3)c(NC3CCOC3)nc2cn1
InChIInChI=1S/C26H32F2N6O2/c1-26(2,35)13-20-12-22-23(14-29-20)31-24(30-19-5-10-36-16-19)25(32-22)34-8-6-33(7-9-34)15-17-11-18(27)3-4-21(17)28/h3-4,11-12,14,19,35H,5-10,13,15-16H2,1-2H3,(H,30,31)
InChIKeyMCXGXLKMXXYOBN-UHFFFAOYSA-N
XLogP3.14
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

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CID 60026377
1,1,1-trifluoro-4-(3-fluorophenyl)-4-methyl-2-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
CID 60026641
1,1,1-trifluoro-4-(4-fluorophenyl)-4-methyl-2-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
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7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
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7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
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US11702418, Example 20-2
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1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(2-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]pentan-2-ol
CID 76314656
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol (CID 177191129) is 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol is CC(C)(O)Cc1cc2nc(N3CCN(Cc4cc(F)ccc4F)CC3)c(NC3CCOC3)nc2cn1.
What is the InChIKey of 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol?
The InChIKey is MCXGXLKMXXYOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O2/c1-26(2,35)13-20-12-22-23(14-29-20)31-24(30-19-5-10-36-16-19)25(32-22)34-8-6-33(7-9-34)15-17-11-18(27)3-4-21(17)28/h3-4,11-12,14,19,35H,5-10,13,15-16H2,1-2H3,(H,30,31).
What are the key properties of 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol?
1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol has a molecular weight of 498.58 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 177191129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).