3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole

C22H27N5O — CID 58483619

IUPAC3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)CC3)ccc12
InChIInChI=1S/C22H27N5O/c1-28-22-20-8-7-18(15-21(20)27(24-22)17-5-3-2-4-6-17)25-11-13-26(14-12-25)19-9-10-23-16-19/h2-8,15,19,23H,9-14,16H2,1H3
InChIKeyKEQMXTYZTSWPHX-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.52
Rot. Bonds4

About 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole

3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole (PubChem CID 58483619) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
PubChem CID58483619
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)CC3)ccc12
InChIInChI=1S/C22H27N5O/c1-28-22-20-8-7-18(15-21(20)27(24-22)17-5-3-2-4-6-17)25-11-13-26(14-12-25)19-9-10-23-16-19/h2-8,15,19,23H,9-14,16H2,1H3
InChIKeyKEQMXTYZTSWPHX-UHFFFAOYSA-N
XLogP2.52
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole?
The IUPAC name of 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole (CID 58483619) is 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole.
What is the SMILES notation for 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole?
The canonical SMILES for 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole is COc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)CC3)ccc12.
What is the InChIKey of 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole?
The InChIKey is KEQMXTYZTSWPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-28-22-20-8-7-18(15-21(20)27(24-22)17-5-3-2-4-6-17)25-11-13-26(14-12-25)19-9-10-23-16-19/h2-8,15,19,23H,9-14,16H2,1H3.
What are the key properties of 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole?
3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole has a molecular weight of 377.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole is sourced from PubChem (CID 58483619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).