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

C23H26F2N6O2 — CID 73054515

IUPAC2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cnn(CCN(C)C)c4)cc3n2)c1F
InChIInChI=1S/C23H26F2N6O2/c1-30(2)7-8-31-13-14(11-27-31)17-9-18-23(29-17)26-12-15(28-18)5-6-16-21(24)19(32-3)10-20(33-4)22(16)25/h9-13H,5-8H2,1-4H3,(H,26,29)
InChIKeyACLIOLPFMKEUJZ-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.46
Rot. Bonds9

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

2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 73054515) has the molecular formula C23H26F2N6O2 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID73054515
Molecular FormulaC23H26F2N6O2
Molecular Weight456.50 g/mol
Exact Mass456.21
IUPAC Name2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cnn(CCN(C)C)c4)cc3n2)c1F
InChIInChI=1S/C23H26F2N6O2/c1-30(2)7-8-31-13-14(11-27-31)17-9-18-23(29-17)26-12-15(28-18)5-6-16-21(24)19(32-3)10-20(33-4)22(16)25/h9-13H,5-8H2,1-4H3,(H,26,29)
InChIKeyACLIOLPFMKEUJZ-UHFFFAOYSA-N
XLogP3.46
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-methyl-4-(1-methylpyrazol-4-yl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 73054515) is 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine is COc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cnn(CCN(C)C)c4)cc3n2)c1F.
What is the InChIKey of 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is ACLIOLPFMKEUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O2/c1-30(2)7-8-31-13-14(11-27-31)17-9-18-23(29-17)26-12-15(28-18)5-6-16-21(24)19(32-3)10-20(33-4)22(16)25/h9-13H,5-8H2,1-4H3,(H,26,29).
What are the key properties of 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 456.50 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 73054515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).