2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole

C23H17F2N5 — CID 58200521

IUPAC2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2cnccn2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H17F2N5/c1-2-30-22(12-19(29-30)21-13-26-8-9-27-21)14-6-7-18-15(10-14)11-20(28-18)23-16(24)4-3-5-17(23)25/h3-13,28H,2H2,1H3
InChIKeyYPTHILZMAIXESO-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.45
Rot. Bonds4

About 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole

2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole (PubChem CID 58200521) has the molecular formula C23H17F2N5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
PubChem CID58200521
Molecular FormulaC23H17F2N5
Molecular Weight401.42 g/mol
Exact Mass401.15
IUPAC Name2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2cnccn2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H17F2N5/c1-2-30-22(12-19(29-30)21-13-26-8-9-27-21)14-6-7-18-15(10-14)11-20(28-18)23-16(24)4-3-5-17(23)25/h3-13,28H,2H2,1H3
InChIKeyYPTHILZMAIXESO-UHFFFAOYSA-N
XLogP5.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole (CID 58200521) is 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole is CCn1nc(-c2cnccn2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole?
The InChIKey is YPTHILZMAIXESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5/c1-2-30-22(12-19(29-30)21-13-26-8-9-27-21)14-6-7-18-15(10-14)11-20(28-18)23-16(24)4-3-5-17(23)25/h3-13,28H,2H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole?
2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole has a molecular weight of 401.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole is sourced from PubChem (CID 58200521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).