1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone

C24H27N5O2 — CID 50806834

IUPAC1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2/c30-22(27-16-14-26(15-17-27)19-8-2-1-3-9-19)18-29-21-11-5-4-10-20(21)23(25-29)24(31)28-12-6-7-13-28/h1-5,8-11H,6-7,12-18H2
InChIKeySVYJFHVOEUBCRJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.62
Rot. Bonds4

About 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone

1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone (PubChem CID 50806834) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
PubChem CID50806834
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2/c30-22(27-16-14-26(15-17-27)19-8-2-1-3-9-19)18-29-21-11-5-4-10-20(21)23(25-29)24(31)28-12-6-7-13-28/h1-5,8-11H,6-7,12-18H2
InChIKeySVYJFHVOEUBCRJ-UHFFFAOYSA-N
XLogP2.62
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
N-(4-chlorophenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 22583453
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-3-carbonitrile
CID 99782830
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2386911
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633
N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821337
N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378627
4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2363596
(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 123818854
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone (CID 50806834) is 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone is O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone?
The InChIKey is SVYJFHVOEUBCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-22(27-16-14-26(15-17-27)19-8-2-1-3-9-19)18-29-21-11-5-4-10-20(21)23(25-29)24(31)28-12-6-7-13-28/h1-5,8-11H,6-7,12-18H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone?
1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone has a molecular weight of 417.51 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone is sourced from PubChem (CID 50806834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).