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

C18H12F4N4 — CID 75203457

IUPAC2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3F)cc2n1
InChIInChI=1S/C18H12F4N4/c1-26-16(9-17(25-26)18(20,21)22)13-7-6-12-15(24-13)8-14(23-12)10-4-2-3-5-11(10)19/h2-9,23H,1H3
InChIKeyFRGUUTGYGKBWKL-UHFFFAOYSA-N
MW360.31 g/mol
LogP4.79
Rot. Bonds2

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

2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 75203457) has the molecular formula C18H12F4N4 and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID75203457
Molecular FormulaC18H12F4N4
Molecular Weight360.31 g/mol
Exact Mass360.10
IUPAC Name2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3F)cc2n1
InChIInChI=1S/C18H12F4N4/c1-26-16(9-17(25-26)18(20,21)22)13-7-6-12-15(24-13)8-14(23-12)10-4-2-3-5-11(10)19/h2-9,23H,1H3
InChIKeyFRGUUTGYGKBWKL-UHFFFAOYSA-N
XLogP4.79
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butoxy-2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine
CID 75203815
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CID 75203193
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CID 136619951
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CID 4036144
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CID 58200671
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CID 136967042
6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
CID 71105505
2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 175826085
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
4-(2-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000862
2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136740728
2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2,6-difluorophenyl)-1H-benzimidazole;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine (CID 75203457) is 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine is Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3F)cc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is FRGUUTGYGKBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4/c1-26-16(9-17(25-26)18(20,21)22)13-7-6-12-15(24-13)8-14(23-12)10-4-2-3-5-11(10)19/h2-9,23H,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine?
2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 360.31 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 75203457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).