4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide

C25H23N5O2S — CID 118664858

About 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide

4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (PubChem CID 118664858) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
• PubChem CID: 118664858
• Molecular Formula: C25H23N5O2S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.16
• IUPAC Name: 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
• SMILES: CC(C)(N)c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1
• InChI: InChI=1S/C25H23N5O2S/c1-25(2,26)18-9-7-16(8-10-18)17-13-28-24-22(14-29-30(24)15-17)20-11-12-23(33(27,31)32)21-6-4-3-5-19(20)21/h3-15H,26H2,1-2H3,(H2,27,31,32)
• InChIKey: AUMUDSIJXFAGAL-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 116.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?

The IUPAC name of 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (CID 118664858) is 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.

What is the SMILES notation for 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?

The canonical SMILES for 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is CC(C)(N)c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1.

What is the InChIKey of 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?

The InChIKey is AUMUDSIJXFAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-25(2,26)18-9-7-16(8-10-18)17-13-28-24-22(14-29-30(24)15-17)20-11-12-23(33(27,31)32)21-6-4-3-5-19(20)21/h3-15H,26H2,1-2H3,(H2,27,31,32).

What are the key properties of 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?

4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide has a molecular weight of 457.56 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 118664858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).