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

C17H17F3N4 — CID 90184827

IUPAC2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(C3CCCC3)cc2c1
InChIInChI=1S/C17H17F3N4/c1-24-14(8-15(23-24)17(18,19)20)12-6-11-7-13(10-4-2-3-5-10)22-16(11)21-9-12/h6-10H,2-5H2,1H3,(H,21,22)
InChIKeyIXPUKJQXLJUEQH-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.64
Rot. Bonds2

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

2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90184827) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID90184827
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(C3CCCC3)cc2c1
InChIInChI=1S/C17H17F3N4/c1-24-14(8-15(23-24)17(18,19)20)12-6-11-7-13(10-4-2-3-5-10)22-16(11)21-9-12/h6-10H,2-5H2,1H3,(H,21,22)
InChIKeyIXPUKJQXLJUEQH-UHFFFAOYSA-N
XLogP4.64
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-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-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 90184827) is 2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine is Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(C3CCCC3)cc2c1.
What is the InChIKey of 2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IXPUKJQXLJUEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4/c1-24-14(8-15(23-24)17(18,19)20)12-6-11-7-13(10-4-2-3-5-10)22-16(11)21-9-12/h6-10H,2-5H2,1H3,(H,21,22).
What are the key properties of 2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 334.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90184827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).