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

C15H7ClF3N7 — CID 164549338

IUPAC6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile
SMILESN#Cc1c(Cl)ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12
InChIInChI=1S/C15H7ClF3N7/c16-9-2-1-7-10(6-4-21-22-5-6)12(23-11(7)8(9)3-20)13-24-14(26-25-13)15(17,18)19/h1-2,4-5,23H,(H,21,22)(H,24,25,26)
InChIKeyQPFYEHPUSKNFQQ-UHFFFAOYSA-N
MW377.72 g/mol
LogP3.89
Rot. Bonds2

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

6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile (PubChem CID 164549338) has the molecular formula C15H7ClF3N7 and a molecular weight of 377.72 g/mol. Its IUPAC name is 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile
PubChem CID164549338
Molecular FormulaC15H7ClF3N7
Molecular Weight377.72 g/mol
Exact Mass377.04
IUPAC Name6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile
SMILESN#Cc1c(Cl)ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12
InChIInChI=1S/C15H7ClF3N7/c16-9-2-1-7-10(6-4-21-22-5-6)12(23-11(7)8(9)3-20)13-24-14(26-25-13)15(17,18)19/h1-2,4-5,23H,(H,21,22)(H,24,25,26)
InChIKeyQPFYEHPUSKNFQQ-UHFFFAOYSA-N
XLogP3.89
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.72
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

US12404261, Example 6
CID 164549129
US12404261, Example 16
CID 164549132
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 11
CID 164549245
US12404261, Example 9
CID 164549258
US12404261, Example 14
CID 164549265

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile?
The IUPAC name of 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile (CID 164549338) is 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile?
The canonical SMILES for 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile is N#Cc1c(Cl)ccc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12.
What is the InChIKey of 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile?
The InChIKey is QPFYEHPUSKNFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N7/c16-9-2-1-7-10(6-4-21-22-5-6)12(23-11(7)8(9)3-20)13-24-14(26-25-13)15(17,18)19/h1-2,4-5,23H,(H,21,22)(H,24,25,26).
What are the key properties of 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile?
6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile has a molecular weight of 377.72 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 164549338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).