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

C16H16N4O5S — CID 175124343

IUPAC[(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate
SMILESNC(=O)O[C@H](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)/t13-/m0/s1
InChIKeyHDLOUQNGVZJUNS-ZDUSSCGKSA-N
MW376.39 g/mol
LogP0.67
Rot. Bonds6

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

[(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate (PubChem CID 175124343) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate
PubChem CID175124343
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name[(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate
SMILESNC(=O)O[C@H](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)/t13-/m0/s1
InChIKeyHDLOUQNGVZJUNS-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate?
The IUPAC name of [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate (CID 175124343) is [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate is NC(=O)O[C@H](CO)Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1.
What is the InChIKey of [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate?
The InChIKey is HDLOUQNGVZJUNS-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate?
[(2S)-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 [(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate is sourced from PubChem (CID 175124343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).