2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide

C20H22N6O5S — CID 177233466

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESCn1cc(S(=O)(=O)N2CCc3[nH]nc(NC(=O)Cc4ccc5c(c4)OCCO5)c3C2)cn1
InChIInChI=1S/C20H22N6O5S/c1-25-11-14(10-21-25)32(28,29)26-5-4-16-15(12-26)20(24-23-16)22-19(27)9-13-2-3-17-18(8-13)31-7-6-30-17/h2-3,8,10-11H,4-7,9,12H2,1H3,(H2,22,23,24,27)
InChIKeyRBGZFGTZKJGYLZ-UHFFFAOYSA-N
MW458.50 g/mol
LogP0.84
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 177233466) has the molecular formula C20H22N6O5S and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide
PubChem CID177233466
Molecular FormulaC20H22N6O5S
Molecular Weight458.50 g/mol
Exact Mass458.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESCn1cc(S(=O)(=O)N2CCc3[nH]nc(NC(=O)Cc4ccc5c(c4)OCCO5)c3C2)cn1
InChIInChI=1S/C20H22N6O5S/c1-25-11-14(10-21-25)32(28,29)26-5-4-16-15(12-26)20(24-23-16)22-19(27)9-13-2-3-17-18(8-13)31-7-6-30-17/h2-3,8,10-11H,4-7,9,12H2,1H3,(H2,22,23,24,27)
InChIKeyRBGZFGTZKJGYLZ-UHFFFAOYSA-N
XLogP0.84
TPSA131.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide with MolForge

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 177233015
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-[(1-methylpyrazol-4-yl)sulfonylamino]-1H-indazol-3-yl]acetamide
CID 177233441
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium-3-yl)acetamide
CID 177232998
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
2-(aminomethyl)-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 67203186
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233074
N-(5-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233134
N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233128
N-(7-chloro-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233484
2-amino-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(dimethylamino)benzamide
CID 67493798
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 18076854

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 177233466) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide is Cn1cc(S(=O)(=O)N2CCc3[nH]nc(NC(=O)Cc4ccc5c(c4)OCCO5)c3C2)cn1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide?
The InChIKey is RBGZFGTZKJGYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5S/c1-25-11-14(10-21-25)32(28,29)26-5-4-16-15(12-26)20(24-23-16)22-19(27)9-13-2-3-17-18(8-13)31-7-6-30-17/h2-3,8,10-11H,4-7,9,12H2,1H3,(H2,22,23,24,27).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 458.50 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 177233466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).