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

C23H23F2N5O — CID 58532470

IUPAC1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESCc1ccc(F)c(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c1F
InChIInChI=1S/C23H23F2N5O/c1-15-2-3-20(24)19(23(15)25)14-31-30-9-6-21-22(30)10-16(11-27-21)17-12-28-29(13-17)18-4-7-26-8-5-18/h2-3,6,9-13,18,26H,4-5,7-8,14H2,1H3
InChIKeyHTTGYNVTVAOBEB-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.04
Rot. Bonds5

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

1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 58532470) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID58532470
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESCc1ccc(F)c(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c1F
InChIInChI=1S/C23H23F2N5O/c1-15-2-3-20(24)19(23(15)25)14-31-30-9-6-21-22(30)10-16(11-27-21)17-12-28-29(13-17)18-4-7-26-8-5-18/h2-3,6,9-13,18,26H,4-5,7-8,14H2,1H3
InChIKeyHTTGYNVTVAOBEB-UHFFFAOYSA-N
XLogP4.04
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 58532470) is 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is Cc1ccc(F)c(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c1F.
What is the InChIKey of 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is HTTGYNVTVAOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-15-2-3-20(24)19(23(15)25)14-31-30-9-6-21-22(30)10-16(11-27-21)17-12-28-29(13-17)18-4-7-26-8-5-18/h2-3,6,9-13,18,26H,4-5,7-8,14H2,1H3.
What are the key properties of 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 423.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58532470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).