6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine

C24H32N6 — CID 139425819

IUPAC6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine
SMILESCCc1ccc(N2CCN(c3ccc4cnn(CCN5CCCC5)c4n3)CC2)cc1
InChIInChI=1S/C24H32N6/c1-2-20-5-8-22(9-6-20)28-14-16-29(17-15-28)23-10-7-21-19-25-30(24(21)26-23)18-13-27-11-3-4-12-27/h5-10,19H,2-4,11-18H2,1H3
InChIKeyIGKQNXCTPQHWOB-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.42
Rot. Bonds6

About 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine

6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine (PubChem CID 139425819) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine
PubChem CID139425819
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine
SMILESCCc1ccc(N2CCN(c3ccc4cnn(CCN5CCCC5)c4n3)CC2)cc1
InChIInChI=1S/C24H32N6/c1-2-20-5-8-22(9-6-20)28-14-16-29(17-15-28)23-10-7-21-19-25-30(24(21)26-23)18-13-27-11-3-4-12-27/h5-10,19H,2-4,11-18H2,1H3
InChIKeyIGKQNXCTPQHWOB-UHFFFAOYSA-N
XLogP3.42
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 139425813
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690
6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 139415693
4-(4-ethylphenyl)morpholine
CID 20576442
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 63771899
2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 70276501
1-methyl-6-pyrrolidin-1-ylindazole
CID 123532355
1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine
CID 144627248

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine (CID 139425819) is 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine is CCc1ccc(N2CCN(c3ccc4cnn(CCN5CCCC5)c4n3)CC2)cc1.
What is the InChIKey of 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is IGKQNXCTPQHWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6/c1-2-20-5-8-22(9-6-20)28-14-16-29(17-15-28)23-10-7-21-19-25-30(24(21)26-23)18-13-27-11-3-4-12-27/h5-10,19H,2-4,11-18H2,1H3.
What are the key properties of 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine?
6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 404.56 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 139425819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).