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

C27H25N5O2S — CID 118665074

IUPAC4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cc4)cnc23)c2ccccc12
InChIInChI=1S/C27H25N5O2S/c28-35(33,34)26-10-9-23(22-3-1-2-4-24(22)26)25-16-31-32-17-21(15-30-27(25)32)19-7-5-18(6-8-19)20-11-13-29-14-12-20/h1-10,15-17,20,29H,11-14H2,(H2,28,33,34)
InChIKeyMIPSILMPJSYIFB-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.33
Rot. Bonds4

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

4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (PubChem CID 118665074) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
PubChem CID118665074
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC Name4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cc4)cnc23)c2ccccc12
InChIInChI=1S/C27H25N5O2S/c28-35(33,34)26-10-9-23(22-3-1-2-4-24(22)26)25-16-31-32-17-21(15-30-27(25)32)19-7-5-18(6-8-19)20-11-13-29-14-12-20/h1-10,15-17,20,29H,11-14H2,(H2,28,33,34)
InChIKeyMIPSILMPJSYIFB-UHFFFAOYSA-N
XLogP4.33
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (CID 118665074) is 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is NS(=O)(=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-sulfonamide?
The InChIKey is MIPSILMPJSYIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c28-35(33,34)26-10-9-23(22-3-1-2-4-24(22)26)25-16-31-32-17-21(15-30-27(25)32)19-7-5-18(6-8-19)20-11-13-29-14-12-20/h1-10,15-17,20,29H,11-14H2,(H2,28,33,34).
What are the key properties of 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide has a molecular weight of 483.60 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 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-sulfonamide is sourced from PubChem (CID 118665074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).