4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate

C27H23N4O2S- — CID 130214307

IUPAC4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
SMILESO=S([O-])c1ccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cc4)cnc23)c2ccccc12
InChIInChI=1S/C27H24N4O2S/c32-34(33)26-10-9-23(22-3-1-2-4-24(22)26)25-16-30-31-17-21(15-29-27(25)31)19-7-5-18(6-8-19)20-11-13-28-14-12-20/h1-10,15-17,20,28H,11-14H2,(H,32,33)/p-1
InChIKeyHEJGFZZTDAAMPW-UHFFFAOYSA-M
MW467.57 g/mol
LogP4.92
Rot. Bonds4

About 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate

4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate (PubChem CID 130214307) has the molecular formula C27H23N4O2S- and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate.

Molecular Properties

Compound Name4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
PubChem CID130214307
Molecular FormulaC27H23N4O2S-
Molecular Weight467.57 g/mol
Exact Mass467.15
IUPAC Name4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
SMILESO=S([O-])c1ccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cc4)cnc23)c2ccccc12
InChIInChI=1S/C27H24N4O2S/c32-34(33)26-10-9-23(22-3-1-2-4-24(22)26)25-16-30-31-17-21(15-29-27(25)31)19-7-5-18(6-8-19)20-11-13-28-14-12-20/h1-10,15-17,20,28H,11-14H2,(H,32,33)/p-1
InChIKeyHEJGFZZTDAAMPW-UHFFFAOYSA-M
XLogP4.92
TPSA82.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 58170113
4-[6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
CID 130214308
4-[6-[6-(4-hydroxypiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
CID 130214304
4-[6-[4-[1-(piperidin-1-ylmethyl)cyclopropyl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
CID 130214323
ethane;3-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide
CID 145001865
4-[6-[4-[3-(piperidin-1-ylmethyl)oxetan-3-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
CID 130214312
ethane;hydroxy-methyl-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfanium
CID 163291471
S-[4-[6-[4-(3-aminoazetidin-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]thiohydroxylamine
CID 163291474
3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 167059477
4-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 130214229
6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]-3-[4-(2H-tetrazol-5-yl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine
CID 118664822
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 118664711

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate?
The IUPAC name of 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate (CID 130214307) is 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate.
What is the SMILES notation for 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate?
The canonical SMILES for 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate is O=S([O-])c1ccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cc4)cnc23)c2ccccc12.
What is the InChIKey of 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate?
The InChIKey is HEJGFZZTDAAMPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H24N4O2S/c32-34(33)26-10-9-23(22-3-1-2-4-24(22)26)25-16-30-31-17-21(15-29-27(25)31)19-7-5-18(6-8-19)20-11-13-28-14-12-20/h1-10,15-17,20,28H,11-14H2,(H,32,33)/p-1.
What are the key properties of 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate?
4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate has a molecular weight of 467.57 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate is sourced from PubChem (CID 130214307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).