[1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate

C16H16N4O5S — CID 175124347

IUPAC[1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate
SMILESNC(=O)OC(CO)Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1
InChIInChI=1S/C16H16N4O5S/c17-16(22)25-13(10-21)7-12-6-11-8-19-20(15(11)9-18-12)26(23,24)14-4-2-1-3-5-14/h1-6,8-9,13,21H,7,10H2,(H2,17,22)
InChIKeyHDLOUQNGVZJUNS-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.67
Rot. Bonds6

About [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate

[1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate (PubChem CID 175124347) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate
PubChem CID175124347
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name[1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate
SMILESNC(=O)OC(CO)Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1
InChIInChI=1S/C16H16N4O5S/c17-16(22)25-13(10-21)7-12-6-11-8-19-20(15(11)9-18-12)26(23,24)14-4-2-1-3-5-14/h1-6,8-9,13,21H,7,10H2,(H2,17,22)
InChIKeyHDLOUQNGVZJUNS-UHFFFAOYSA-N
XLogP0.67
TPSA137.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl]carbamate
CID 139568908
[(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl]carbamic acid
CID 156361697
[1-[1-(Benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl]carbamic acid
CID 156361699
(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 156361786
3-[1-(Benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 156361789
tert-butyl N-[1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl]carbamate
CID 156683167
[2-Methyl-1-[3-methyl-1-(4-methylphenyl)sulfonylpyrazolo[4,5-b]pyridin-6-yl]propan-2-yl] acetate
CID 159634664
[(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate
CID 175124343
3-[1-(Benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propanoic acid
CID 176065919

Frequently Asked Questions

What is the IUPAC name of [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate?
The IUPAC name of [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate (CID 175124347) is [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate.
What is the SMILES notation for [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate?
The canonical SMILES for [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate is NC(=O)OC(CO)Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1.
What is the InChIKey of [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate?
The InChIKey is HDLOUQNGVZJUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c17-16(22)25-13(10-21)7-12-6-11-8-19-20(15(11)9-18-12)26(23,24)14-4-2-1-3-5-14/h1-6,8-9,13,21H,7,10H2,(H2,17,22).
What are the key properties of [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate?
[1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate has a molecular weight of 376.39 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate is sourced from PubChem (CID 175124347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).