2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole

C23H17ClFN5 — CID 51036879

IUPAC2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2cnccn2)cc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C23H17ClFN5/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
InChIKeyDNTVGFBZSNGOND-UHFFFAOYSA-N
MW417.88 g/mol
LogP5.97
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole

2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole (PubChem CID 51036879) has the molecular formula C23H17ClFN5 and a molecular weight of 417.88 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
PubChem CID51036879
Molecular FormulaC23H17ClFN5
Molecular Weight417.88 g/mol
Exact Mass417.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2cnccn2)cc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C23H17ClFN5/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
InChIKeyDNTVGFBZSNGOND-UHFFFAOYSA-N
XLogP5.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.88
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole (CID 51036879) is 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole is CCn1nc(-c2cnccn2)cc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole?
The InChIKey is DNTVGFBZSNGOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5/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-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole?
2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole has a molecular weight of 417.88 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole is sourced from PubChem (CID 51036879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).