3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine

C17H21N7O2S — CID 163234368

IUPAC3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2cnc(N3CCN(S(=O)(=O)c4cnn(C)c4)CC34CC4)cc12
InChIInChI=1S/C17H21N7O2S/c1-12-14-7-16(18-9-15(14)21-20-12)24-6-5-23(11-17(24)3-4-17)27(25,26)13-8-19-22(2)10-13/h7-10H,3-6,11H2,1-2H3,(H,20,21)
InChIKeyDALJPFNQTIHRJI-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.04
Rot. Bonds3

About 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine

3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine (PubChem CID 163234368) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine
PubChem CID163234368
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2cnc(N3CCN(S(=O)(=O)c4cnn(C)c4)CC34CC4)cc12
InChIInChI=1S/C17H21N7O2S/c1-12-14-7-16(18-9-15(14)21-20-12)24-6-5-23(11-17(24)3-4-17)27(25,26)13-8-19-22(2)10-13/h7-10H,3-6,11H2,1-2H3,(H,20,21)
InChIKeyDALJPFNQTIHRJI-UHFFFAOYSA-N
XLogP1.04
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
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1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile
CID 63337013
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one
CID 126916443
1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
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3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole
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4-[[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]morpholine
CID 91629454
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19518891
4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine (CID 163234368) is 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine is Cc1[nH]nc2cnc(N3CCN(S(=O)(=O)c4cnn(C)c4)CC34CC4)cc12.
What is the InChIKey of 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is DALJPFNQTIHRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-12-14-7-16(18-9-15(14)21-20-12)24-6-5-23(11-17(24)3-4-17)27(25,26)13-8-19-22(2)10-13/h7-10H,3-6,11H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine?
3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 387.47 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[7-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-4-yl]-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 163234368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).