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

C20H19F2N5O2 — CID 73054235

IUPAC2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cn[nH]c4C)cc3n2)c1F
InChIInChI=1S/C20H19F2N5O2/c1-10-13(9-24-27-10)14-6-15-20(26-14)23-8-11(25-15)4-5-12-18(21)16(28-2)7-17(29-3)19(12)22/h6-9H,4-5H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPBSPETLVPCWFAK-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.74
Rot. Bonds6

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

2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73054235) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73054235
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cn[nH]c4C)cc3n2)c1F
InChIInChI=1S/C20H19F2N5O2/c1-10-13(9-24-27-10)14-6-15-20(26-14)23-8-11(25-15)4-5-12-18(21)16(28-2)7-17(29-3)19(12)22/h6-9H,4-5H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPBSPETLVPCWFAK-UHFFFAOYSA-N
XLogP3.74
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 73054235) is 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cn[nH]c4C)cc3n2)c1F.
What is the InChIKey of 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is PBSPETLVPCWFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-10-13(9-24-27-10)14-6-15-20(26-14)23-8-11(25-15)4-5-12-18(21)16(28-2)7-17(29-3)19(12)22/h6-9H,4-5H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 399.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73054235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).