2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole

C24H18F2N4 — CID 51037928

IUPAC2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2ccncc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C24H18F2N4/c1-2-30-23(14-21(29-30)15-8-10-27-11-9-15)16-6-7-20-17(12-16)13-22(28-20)24-18(25)4-3-5-19(24)26/h3-14,28H,2H2,1H3
InChIKeyZOGFULQSOCTGBL-UHFFFAOYSA-N
MW400.43 g/mol
LogP6.06
Rot. Bonds4

About 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole

2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole (PubChem CID 51037928) has the molecular formula C24H18F2N4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole
PubChem CID51037928
Molecular FormulaC24H18F2N4
Molecular Weight400.43 g/mol
Exact Mass400.15
IUPAC Name2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2ccncc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C24H18F2N4/c1-2-30-23(14-21(29-30)15-8-10-27-11-9-15)16-6-7-20-17(12-16)13-22(28-20)24-18(25)4-3-5-19(24)26/h3-14,28H,2H2,1H3
InChIKeyZOGFULQSOCTGBL-UHFFFAOYSA-N
XLogP6.06
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole (CID 51037928) is 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole is CCn1nc(-c2ccncc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole?
The InChIKey is ZOGFULQSOCTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4/c1-2-30-23(14-21(29-30)15-8-10-27-11-9-15)16-6-7-20-17(12-16)13-22(28-20)24-18(25)4-3-5-19(24)26/h3-14,28H,2H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole?
2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole has a molecular weight of 400.43 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole is sourced from PubChem (CID 51037928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).