4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide

C28H28N6O3S — CID 118664876

IUPAC4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)nc4)cnc23)c2ccccc12
InChIInChI=1S/C28H28N6O3S/c29-38(35,36)26-10-9-23(22-6-2-3-7-24(22)26)25-18-32-34-19-21(17-31-28(25)34)20-8-11-27(30-16-20)37-15-14-33-12-4-1-5-13-33/h2-3,6-11,16-19H,1,4-5,12-15H2,(H2,29,35,36)
InChIKeyFXLGFEGZMVWCIO-UHFFFAOYSA-N
MW528.64 g/mol
LogP4.12
Rot. Bonds7

About 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide

4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (PubChem CID 118664876) has the molecular formula C28H28N6O3S and a molecular weight of 528.64 g/mol. Its IUPAC name is 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
PubChem CID118664876
Molecular FormulaC28H28N6O3S
Molecular Weight528.64 g/mol
Exact Mass528.19
IUPAC Name4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)nc4)cnc23)c2ccccc12
InChIInChI=1S/C28H28N6O3S/c29-38(35,36)26-10-9-23(22-6-2-3-7-24(22)26)25-18-32-34-19-21(17-31-28(25)34)20-8-11-27(30-16-20)37-15-14-33-12-4-1-5-13-33/h2-3,6-11,16-19H,1,4-5,12-15H2,(H2,29,35,36)
InChIKeyFXLGFEGZMVWCIO-UHFFFAOYSA-N
XLogP4.12
TPSA115.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-[2-(1-Piperidinyl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-naphthalenesulfonamide
CID 118664628
4-[6-[4-[1,1-Dimethyl-2-(1-piperidinyl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-naphthalenesulfonamide
CID 118664795
4-[6-[4-[2-(1-Pyrrolidinyl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-naphthalenesulfonamide
CID 118664894
N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine
CID 1481480
4-[6-[6-[2-(Dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-naphthalenesulfonamide
CID 118664997
4-[2-[[2-[4-(2-Morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
CID 46943565
1-[2-(1-methylpyrazol-4-yl)ethoxy]-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 89613499
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethoxy)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 89613712
1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 89613782
N-pyrimidin-4-yl-1-[2-(triazol-1-yl)ethoxy]isoquinoline-6-sulfonamide
CID 89614130
N-pyrimidin-4-yl-1-(2-pyrrol-1-ylethoxy)isoquinoline-6-sulfonamide
CID 89614439
4-[6-[4-(1,1-Difluoro-2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
CID 118665004

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (CID 118664876) is 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is NS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)nc4)cnc23)c2ccccc12.
What is the InChIKey of 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The InChIKey is FXLGFEGZMVWCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3S/c29-38(35,36)26-10-9-23(22-6-2-3-7-24(22)26)25-18-32-34-19-21(17-31-28(25)34)20-8-11-27(30-16-20)37-15-14-33-12-4-1-5-13-33/h2-3,6-11,16-19H,1,4-5,12-15H2,(H2,29,35,36).
What are the key properties of 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide has a molecular weight of 528.64 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 118664876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).