6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole

C14H7F5N6 — CID 164549265

IUPAC6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESFc1ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2c1F
InChIInChI=1S/C14H7F5N6/c15-7-2-1-6-8(5-3-20-21-4-5)11(22-10(6)9(7)16)12-23-13(25-24-12)14(17,18)19/h1-4,22H,(H,20,21)(H,23,24,25)
InChIKeyPZXHHIDFQJKILM-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.64
Rot. Bonds2

About 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole

6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 164549265) has the molecular formula C14H7F5N6 and a molecular weight of 354.24 g/mol. Its IUPAC name is 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
PubChem CID164549265
Molecular FormulaC14H7F5N6
Molecular Weight354.24 g/mol
Exact Mass354.07
IUPAC Name6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESFc1ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2c1F
InChIInChI=1S/C14H7F5N6/c15-7-2-1-6-8(5-3-20-21-4-5)11(22-10(6)9(7)16)12-23-13(25-24-12)14(17,18)19/h1-4,22H,(H,20,21)(H,23,24,25)
InChIKeyPZXHHIDFQJKILM-UHFFFAOYSA-N
XLogP3.64
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-2-
CID 134452526
US10087185, Example 92
CID 134452597
US10087185, Example 111
CID 134452615
US10087185, Example 8
CID 134457859
US10087185, Example 11
CID 134457982
US10087185, Example 79
CID 134457988
US10087185, Example 2
CID 134458100
US10087185, Example 101
CID 134458119
US10087185, Example 107
CID 134458121
3-[1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71818566
6-[1-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazol-4-yl]-1H-indole
CID 156010172
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168286554

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (CID 164549265) is 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is Fc1ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2c1F.
What is the InChIKey of 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is PZXHHIDFQJKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N6/c15-7-2-1-6-8(5-3-20-21-4-5)11(22-10(6)9(7)16)12-23-13(25-24-12)14(17,18)19/h1-4,22H,(H,20,21)(H,23,24,25).
What are the key properties of 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 354.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 164549265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).