1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine

C23H24N6 — CID 141346961

IUPAC1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine
SMILESCCN1CCN(c2ccc(-n3ncc4nc(-c5ccccc5)ncc43)cc2)CC1
InChIInChI=1S/C23H24N6/c1-2-27-12-14-28(15-13-27)19-8-10-20(11-9-19)29-22-17-24-23(26-21(22)16-25-29)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3
InChIKeyPEMDWNNXBYEGRZ-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine

1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine (PubChem CID 141346961) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine
PubChem CID141346961
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine
SMILESCCN1CCN(c2ccc(-n3ncc4nc(-c5ccccc5)ncc43)cc2)CC1
InChIInChI=1S/C23H24N6/c1-2-27-12-14-28(15-13-27)19-8-10-20(11-9-19)29-22-17-24-23(26-21(22)16-25-29)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3
InChIKeyPEMDWNNXBYEGRZ-UHFFFAOYSA-N
XLogP3.62
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine
CID 141347004
1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 7678263
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 66846394
1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde
CID 89494482
N-tert-butyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111457
6-[4-(4-ethylpiperazin-1-yl)anilino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167968460
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111456
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine
CID 153409903
3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride
CID 70138752
1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid
CID 12643401

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine (CID 141346961) is 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine is CCN1CCN(c2ccc(-n3ncc4nc(-c5ccccc5)ncc43)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine?
The InChIKey is PEMDWNNXBYEGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-2-27-12-14-28(15-13-27)19-8-10-20(11-9-19)29-22-17-24-23(26-21(22)16-25-29)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine?
1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine has a molecular weight of 384.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-5-phenylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 141346961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).