1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C23H25F2N5O3 — CID 73054238

IUPAC1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cnn(CC(C)(C)O)c4)cc3n2)c1F
InChIInChI=1S/C23H25F2N5O3/c1-23(2,31)12-30-11-13(9-27-30)16-7-17-22(29-16)26-10-14(28-17)5-6-15-20(24)18(32-3)8-19(33-4)21(15)25/h7-11,31H,5-6,12H2,1-4H3,(H,26,29)
InChIKeyAFKKRBAHOGSSHF-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.67
Rot. Bonds8

About 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 73054238) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID73054238
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cnn(CC(C)(C)O)c4)cc3n2)c1F
InChIInChI=1S/C23H25F2N5O3/c1-23(2,31)12-30-11-13(9-27-30)16-7-17-22(29-16)26-10-14(28-17)5-6-15-20(24)18(32-3)8-19(33-4)21(15)25/h7-11,31H,5-6,12H2,1-4H3,(H,26,29)
InChIKeyAFKKRBAHOGSSHF-UHFFFAOYSA-N
XLogP3.67
TPSA98.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 73054238) is 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol is COc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cnn(CC(C)(C)O)c4)cc3n2)c1F.
What is the InChIKey of 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is AFKKRBAHOGSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-23(2,31)12-30-11-13(9-27-30)16-7-17-22(29-16)26-10-14(28-17)5-6-15-20(24)18(32-3)8-19(33-4)21(15)25/h7-11,31H,5-6,12H2,1-4H3,(H,26,29).
What are the key properties of 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 457.48 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 73054238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).