2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine

C18H12ClF3N4 — CID 118729984

IUPAC2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccccc3Cl)cc2c1
InChIInChI=1S/C18H12ClF3N4/c1-26-15(8-16(25-26)18(20,21)22)11-6-10-7-14(24-17(10)23-9-11)12-4-2-3-5-13(12)19/h2-9H,1H3,(H,23,24)
InChIKeyNTTIRALUIYIPQY-UHFFFAOYSA-N
MW376.77 g/mol
LogP5.30
Rot. Bonds2

About 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine

2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118729984) has the molecular formula C18H12ClF3N4 and a molecular weight of 376.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID118729984
Molecular FormulaC18H12ClF3N4
Molecular Weight376.77 g/mol
Exact Mass376.07
IUPAC Name2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccccc3Cl)cc2c1
InChIInChI=1S/C18H12ClF3N4/c1-26-15(8-16(25-26)18(20,21)22)11-6-10-7-14(24-17(10)23-9-11)12-4-2-3-5-13(12)19/h2-9H,1H3,(H,23,24)
InChIKeyNTTIRALUIYIPQY-UHFFFAOYSA-N
XLogP5.30
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.77
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 118729984) is 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine is Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccccc3Cl)cc2c1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NTTIRALUIYIPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4/c1-26-15(8-16(25-26)18(20,21)22)11-6-10-7-14(24-17(10)23-9-11)12-4-2-3-5-13(12)19/h2-9H,1H3,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 376.77 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118729984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).