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

C23H16F2N4 — CID 51037927

IUPAC2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole
SMILESCn1nc(-c2ccncc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H16F2N4/c1-29-22(13-20(28-29)14-7-9-26-10-8-14)15-5-6-19-16(11-15)12-21(27-19)23-17(24)3-2-4-18(23)25/h2-13,27H,1H3
InChIKeyAMSBZBCINYQEKZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.58
Rot. Bonds3

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

2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole (PubChem CID 51037927) has the molecular formula C23H16F2N4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole
PubChem CID51037927
Molecular FormulaC23H16F2N4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole
SMILESCn1nc(-c2ccncc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H16F2N4/c1-29-22(13-20(28-29)14-7-9-26-10-8-14)15-5-6-19-16(11-15)12-21(27-19)23-17(24)3-2-4-18(23)25/h2-13,27H,1H3
InChIKeyAMSBZBCINYQEKZ-UHFFFAOYSA-N
XLogP5.58
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.58
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-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole (CID 51037927) is 2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole is Cn1nc(-c2ccncc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole?
The InChIKey is AMSBZBCINYQEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4/c1-29-22(13-20(28-29)14-7-9-26-10-8-14)15-5-6-19-16(11-15)12-21(27-19)23-17(24)3-2-4-18(23)25/h2-13,27H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole?
2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole has a molecular weight of 386.41 g/mol, XLogP of 5.58, 3 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-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole is sourced from PubChem (CID 51037927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).