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

C25H24N6O3S — CID 118664997

IUPAC4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESCN(C)CCOc1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cn1
InChIInChI=1S/C25H24N6O3S/c1-30(2)11-12-34-24-10-7-17(13-27-24)18-14-28-25-22(15-29-31(25)16-18)20-8-9-23(35(26,32)33)21-6-4-3-5-19(20)21/h3-10,13-16H,11-12H2,1-2H3,(H2,26,32,33)
InChIKeyNEWWJMLDJTYMCU-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.20
Rot. Bonds7

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

4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (PubChem CID 118664997) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
PubChem CID118664997
Molecular FormulaC25H24N6O3S
Molecular Weight488.57 g/mol
Exact Mass488.16
IUPAC Name4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESCN(C)CCOc1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cn1
InChIInChI=1S/C25H24N6O3S/c1-30(2)11-12-34-24-10-7-17(13-27-24)18-14-28-25-22(15-29-31(25)16-18)20-8-9-23(35(26,32)33)21-6-4-3-5-19(20)21/h3-10,13-16H,11-12H2,1-2H3,(H2,26,32,33)
InChIKeyNEWWJMLDJTYMCU-UHFFFAOYSA-N
XLogP3.20
TPSA115.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.20
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-[6-[2-(1-Piperidinyl)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-naphthalenesulfonamide
CID 118664876
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-[2-[[2-[4-(2-Morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
CID 46943565
1-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 89613523
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of 4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (CID 118664997) is 4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is CN(C)CCOc1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cn1.
What is the InChIKey of 4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The InChIKey is NEWWJMLDJTYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S/c1-30(2)11-12-34-24-10-7-17(13-27-24)18-14-28-25-22(15-29-31(25)16-18)20-8-9-23(35(26,32)33)21-6-4-3-5-19(20)21/h3-10,13-16H,11-12H2,1-2H3,(H2,26,32,33).
What are the key properties of 4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
4-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide has a molecular weight of 488.57 g/mol, XLogP of 3.20, 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-(dimethylamino)ethoxy]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 118664997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).