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

C15H10ClF3N6O — CID 164549133

IUPAC6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESCOc1cc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2cc1Cl
InChIInChI=1S/C15H10ClF3N6O/c1-26-10-2-7-9(3-8(10)16)22-12(11(7)6-4-20-21-5-6)13-23-14(25-24-13)15(17,18)19/h2-5,22H,1H3,(H,20,21)(H,23,24,25)
InChIKeyYMWCBAGOZBEWRA-UHFFFAOYSA-N
MW382.73 g/mol
LogP4.02
Rot. Bonds3

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

6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 164549133) has the molecular formula C15H10ClF3N6O and a molecular weight of 382.73 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
PubChem CID164549133
Molecular FormulaC15H10ClF3N6O
Molecular Weight382.73 g/mol
Exact Mass382.06
IUPAC Name6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESCOc1cc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2cc1Cl
InChIInChI=1S/C15H10ClF3N6O/c1-26-10-2-7-9(3-8(10)16)22-12(11(7)6-4-20-21-5-6)13-23-14(25-24-13)15(17,18)19/h2-5,22H,1H3,(H,20,21)(H,23,24,25)
InChIKeyYMWCBAGOZBEWRA-UHFFFAOYSA-N
XLogP4.02
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

US12404261, Example 73
CID 164549114
US12404261, Example 82
CID 164549118
US12404261, Example 127
CID 164549120
US12404261, Example 63
CID 164549121
US12404261, Example 72
CID 164549122
US12404261, Example 60
CID 164549125
US12404261, Example 85
CID 164549127
US12404261, Example 86
CID 164549131
US12404261, Example 75
CID 164549136
US12404261, Example 79
CID 164549140
US12404261, Example 124b
CID 164549142
US12404261, Example 2
CID 164549144

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (CID 164549133) is 6-chloro-5-methoxy-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-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is COc1cc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is YMWCBAGOZBEWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N6O/c1-26-10-2-7-9(3-8(10)16)22-12(11(7)6-4-20-21-5-6)13-23-14(25-24-13)15(17,18)19/h2-5,22H,1H3,(H,20,21)(H,23,24,25).
What are the key properties of 6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 382.73 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 164549133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).