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

C25H23N5O2S — CID 118664858

IUPAC4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESCC(C)(N)c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1
InChIInChI=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)
InChIKeyAUMUDSIJXFAGAL-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.06
Rot. Bonds4

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 Name4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
PubChem CID118664858
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC Name4-[6-[4-(2-aminopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESCC(C)(N)c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1
InChIInChI=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)
InChIKeyAUMUDSIJXFAGAL-UHFFFAOYSA-N
XLogP4.06
TPSA116.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).