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

C23H22F3N5O — CID 58532301

IUPAC6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine
SMILESFC(F)(F)c1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)cc1
InChIInChI=1S/C23H22F3N5O/c24-23(25,26)19-3-1-16(2-4-19)15-32-31-10-7-21-22(31)11-17(12-28-21)18-13-29-30(14-18)20-5-8-27-9-6-20/h1-4,7,10-14,20,27H,5-6,8-9,15H2
InChIKeyCPCYTCRKEROKBJ-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.47
Rot. Bonds5

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

6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine (PubChem CID 58532301) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine
PubChem CID58532301
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine
SMILESFC(F)(F)c1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)cc1
InChIInChI=1S/C23H22F3N5O/c24-23(25,26)19-3-1-16(2-4-19)15-32-31-10-7-21-22(31)11-17(12-28-21)18-13-29-30(14-18)20-5-8-27-9-6-20/h1-4,7,10-14,20,27H,5-6,8-9,15H2
InChIKeyCPCYTCRKEROKBJ-UHFFFAOYSA-N
XLogP4.47
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine (CID 58532301) is 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine is FC(F)(F)c1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)cc1.
What is the InChIKey of 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine?
The InChIKey is CPCYTCRKEROKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c24-23(25,26)19-3-1-16(2-4-19)15-32-31-10-7-21-22(31)11-17(12-28-21)18-13-29-30(14-18)20-5-8-27-9-6-20/h1-4,7,10-14,20,27H,5-6,8-9,15H2.
What are the key properties of 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine?
6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine has a molecular weight of 441.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58532301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).