1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine

C23H21F4N5O — CID 86659799

IUPAC1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESFc1ccc(C(F)(F)F)c(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c1
InChIInChI=1S/C23H21F4N5O/c24-18-1-2-20(23(25,26)27)16(9-18)14-33-32-8-5-21-22(32)10-15(11-29-21)17-12-30-31(13-17)19-3-6-28-7-4-19/h1-2,5,8-13,19,28H,3-4,6-7,14H2
InChIKeyOSDQLGTVQJINGK-UHFFFAOYSA-N
MW459.45 g/mol
LogP4.61
Rot. Bonds5

About 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine

1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 86659799) has the molecular formula C23H21F4N5O and a molecular weight of 459.45 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID86659799
Molecular FormulaC23H21F4N5O
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC Name1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESFc1ccc(C(F)(F)F)c(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c1
InChIInChI=1S/C23H21F4N5O/c24-18-1-2-20(23(25,26)27)16(9-18)14-33-32-8-5-21-22(32)10-15(11-29-21)17-12-30-31(13-17)19-3-6-28-7-4-19/h1-2,5,8-13,19,28H,3-4,6-7,14H2
InChIKeyOSDQLGTVQJINGK-UHFFFAOYSA-N
XLogP4.61
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 86659799) is 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is Fc1ccc(C(F)(F)F)c(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c1.
What is the InChIKey of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is OSDQLGTVQJINGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N5O/c24-18-1-2-20(23(25,26)27)16(9-18)14-33-32-8-5-21-22(32)10-15(11-29-21)17-12-30-31(13-17)19-3-6-28-7-4-19/h1-2,5,8-13,19,28H,3-4,6-7,14H2.
What are the key properties of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 459.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 86659799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).