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

C23H29N5 — CID 53379389

IUPAC3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)CC3)ccc12
InChIInChI=1S/C23H29N5/c1-2-22-21-9-8-19(16-23(21)28(25-22)18-6-4-3-5-7-18)26-12-14-27(15-13-26)20-10-11-24-17-20/h3-9,16,20,24H,2,10-15,17H2,1H3
InChIKeyVDYDBNQZHKYZSK-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.07
Rot. Bonds4

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

3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole (PubChem CID 53379389) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
PubChem CID53379389
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)CC3)ccc12
InChIInChI=1S/C23H29N5/c1-2-22-21-9-8-19(16-23(21)28(25-22)18-6-4-3-5-7-18)26-12-14-27(15-13-26)20-10-11-24-17-20/h3-9,16,20,24H,2,10-15,17H2,1H3
InChIKeyVDYDBNQZHKYZSK-UHFFFAOYSA-N
XLogP3.07
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole?
The IUPAC name of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole (CID 53379389) is 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole?
The canonical SMILES for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole is CCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)CC3)ccc12.
What is the InChIKey of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole?
The InChIKey is VDYDBNQZHKYZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-2-22-21-9-8-19(16-23(21)28(25-22)18-6-4-3-5-7-18)26-12-14-27(15-13-26)20-10-11-24-17-20/h3-9,16,20,24H,2,10-15,17H2,1H3.
What are the key properties of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole?
3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole has a molecular weight of 375.52 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole is sourced from PubChem (CID 53379389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).