2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole

C23H16ClFN4 — CID 51036466

IUPAC2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole
SMILESCn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3ccc(F)cc3Cl)cc2c1
InChIInChI=1S/C23H16ClFN4/c1-29-23(12-21(28-29)15-3-2-8-26-13-15)14-4-7-20-16(9-14)10-22(27-20)18-6-5-17(25)11-19(18)24/h2-13,27H,1H3
InChIKeyDMYDJNYBHVWTOO-UHFFFAOYSA-N
MW402.86 g/mol
LogP6.09
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole

2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole (PubChem CID 51036466) has the molecular formula C23H16ClFN4 and a molecular weight of 402.86 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole
PubChem CID51036466
Molecular FormulaC23H16ClFN4
Molecular Weight402.86 g/mol
Exact Mass402.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole
SMILESCn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3ccc(F)cc3Cl)cc2c1
InChIInChI=1S/C23H16ClFN4/c1-29-23(12-21(28-29)15-3-2-8-26-13-15)14-4-7-20-16(9-14)10-22(27-20)18-6-5-17(25)11-19(18)24/h2-13,27H,1H3
InChIKeyDMYDJNYBHVWTOO-UHFFFAOYSA-N
XLogP6.09
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.86
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole (CID 51036466) is 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole is Cn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3ccc(F)cc3Cl)cc2c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole?
The InChIKey is DMYDJNYBHVWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4/c1-29-23(12-21(28-29)15-3-2-8-26-13-15)14-4-7-20-16(9-14)10-22(27-20)18-6-5-17(25)11-19(18)24/h2-13,27H,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole?
2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole has a molecular weight of 402.86 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole is sourced from PubChem (CID 51036466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).