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

C14H7ClF4N6 — CID 164549132

IUPAC6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESFc1c(Cl)ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12
InChIInChI=1S/C14H7ClF4N6/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)
InChIKeyPCRUVJHVFFWHCA-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.15
Rot. Bonds2

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

6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 164549132) has the molecular formula C14H7ClF4N6 and a molecular weight of 370.70 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
PubChem CID164549132
Molecular FormulaC14H7ClF4N6
Molecular Weight370.70 g/mol
Exact Mass370.04
IUPAC Name6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESFc1c(Cl)ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12
InChIInChI=1S/C14H7ClF4N6/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)
InChIKeyPCRUVJHVFFWHCA-UHFFFAOYSA-N
XLogP4.15
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US20230391786, Example 12
CID 170426549
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US12404261, Example 6
CID 164549129
US12404261, Example 23
CID 164549138
US12404261, Example 32
CID 164549141
US12404261, Example 13
CID 164549172
US12404261, Example 8
CID 164549184
US12404261, Example 110
CID 164549204
US12404261, Example 18
CID 164549205
US12404261, Example 78
CID 164549210
US12404261, Example 10
CID 164549226
US12404261, Example 11
CID 164549245

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (CID 164549132) is 6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is Fc1c(Cl)ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12.
What is the InChIKey of 6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is PCRUVJHVFFWHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N6/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-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 370.70 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 164549132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).