7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine

C22H20N4O — CID 172718042

IUPAC7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
SMILESc1ccc(Oc2ccc(-c3nccc4cnn(C5CCNC5)c34)cc2)cc1
InChIInChI=1S/C22H20N4O/c1-2-4-19(5-3-1)27-20-8-6-16(7-9-20)21-22-17(10-13-24-21)14-25-26(22)18-11-12-23-15-18/h1-10,13-14,18,23H,11-12,15H2
InChIKeyGCZFNDXFLCTQOR-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.43
Rot. Bonds4

About 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine

7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine (PubChem CID 172718042) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
PubChem CID172718042
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
SMILESc1ccc(Oc2ccc(-c3nccc4cnn(C5CCNC5)c34)cc2)cc1
InChIInChI=1S/C22H20N4O/c1-2-4-19(5-3-1)27-20-8-6-16(7-9-20)21-22-17(10-13-24-21)14-25-26(22)18-11-12-23-15-18/h1-10,13-14,18,23H,11-12,15H2
InChIKeyGCZFNDXFLCTQOR-UHFFFAOYSA-N
XLogP4.43
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine?
The IUPAC name of 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine (CID 172718042) is 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine.
What is the SMILES notation for 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine?
The canonical SMILES for 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine is c1ccc(Oc2ccc(-c3nccc4cnn(C5CCNC5)c34)cc2)cc1.
What is the InChIKey of 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine?
The InChIKey is GCZFNDXFLCTQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-4-19(5-3-1)27-20-8-6-16(7-9-20)21-22-17(10-13-24-21)14-25-26(22)18-11-12-23-15-18/h1-10,13-14,18,23H,11-12,15H2.
What are the key properties of 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine?
7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine has a molecular weight of 356.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine is sourced from PubChem (CID 172718042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).