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

C24H18ClFN4 — CID 58200695

IUPAC2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C24H18ClFN4/c1-2-30-23(13-21(29-30)16-5-4-10-27-14-16)15-8-9-20-17(11-15)12-22(28-20)24-18(25)6-3-7-19(24)26/h3-14,28H,2H2,1H3
InChIKeyQHBKDHDOFHBLJR-UHFFFAOYSA-N
MW416.89 g/mol
LogP6.57
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole (PubChem CID 58200695) has the molecular formula C24H18ClFN4 and a molecular weight of 416.89 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole
PubChem CID58200695
Molecular FormulaC24H18ClFN4
Molecular Weight416.89 g/mol
Exact Mass416.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C24H18ClFN4/c1-2-30-23(13-21(29-30)16-5-4-10-27-14-16)15-8-9-20-17(11-15)12-22(28-20)24-18(25)6-3-7-19(24)26/h3-14,28H,2H2,1H3
InChIKeyQHBKDHDOFHBLJR-UHFFFAOYSA-N
XLogP6.57
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.89
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole (CID 58200695) is 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole is CCn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole?
The InChIKey is QHBKDHDOFHBLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4/c1-2-30-23(13-21(29-30)16-5-4-10-27-14-16)15-8-9-20-17(11-15)12-22(28-20)24-18(25)6-3-7-19(24)26/h3-14,28H,2H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole?
2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole has a molecular weight of 416.89 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole is sourced from PubChem (CID 58200695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).