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

C22H15F2N5 — CID 58200697

IUPAC2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole
SMILESCn1nc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C22H15F2N5/c1-29-22(27-21(28-29)14-4-3-9-25-12-14)13-7-8-18-15(10-13)11-19(26-18)20-16(23)5-2-6-17(20)24/h2-12,26H,1H3
InChIKeyMMBOFYHTBMBFSH-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.97
Rot. Bonds3

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

2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole (PubChem CID 58200697) has the molecular formula C22H15F2N5 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole
PubChem CID58200697
Molecular FormulaC22H15F2N5
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Name2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole
SMILESCn1nc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C22H15F2N5/c1-29-22(27-21(28-29)14-4-3-9-25-12-14)13-7-8-18-15(10-13)11-19(26-18)20-16(23)5-2-6-17(20)24/h2-12,26H,1H3
InChIKeyMMBOFYHTBMBFSH-UHFFFAOYSA-N
XLogP4.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole (CID 58200697) is 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole is Cn1nc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole?
The InChIKey is MMBOFYHTBMBFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5/c1-29-22(27-21(28-29)14-4-3-9-25-12-14)13-7-8-18-15(10-13)11-19(26-18)20-16(23)5-2-6-17(20)24/h2-12,26H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole?
2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole has a molecular weight of 387.39 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole is sourced from PubChem (CID 58200697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).