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

C18H19F3N4 — CID 75203193

IUPAC2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C18H19F3N4/c1-25-16(10-17(24-25)18(19,20)21)13-8-7-12-15(23-13)9-14(22-12)11-5-3-2-4-6-11/h7-11,22H,2-6H2,1H3
InChIKeyZMKHSPHGHWEELG-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.03
Rot. Bonds2

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

2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 75203193) has the molecular formula C18H19F3N4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID75203193
Molecular FormulaC18H19F3N4
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC Name2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C18H19F3N4/c1-25-16(10-17(24-25)18(19,20)21)13-8-7-12-15(23-13)9-14(22-12)11-5-3-2-4-6-11/h7-11,22H,2-6H2,1H3
InChIKeyZMKHSPHGHWEELG-UHFFFAOYSA-N
XLogP5.03
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine (CID 75203193) is 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine is Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCCCC3)cc2n1.
What is the InChIKey of 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ZMKHSPHGHWEELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4/c1-25-16(10-17(24-25)18(19,20)21)13-8-7-12-15(23-13)9-14(22-12)11-5-3-2-4-6-11/h7-11,22H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine?
2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 348.37 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 75203193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).