tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

C16H25N3O5S — CID 87627206

IUPACtert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESC/C=C\S(=O)(=O)CCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2O
InChIInChI=1S/C16H25N3O5S/c1-5-7-25(22,23)8-6-19-13-10-18(15(21)24-16(2,3)4)11-14(20)12(13)9-17-19/h5,7,9,14,20H,6,8,10-11H2,1-4H3/b7-5-
InChIKeyAXVFBGKMHDQPKQ-ALCCZGGFSA-N
MW371.46 g/mol
LogP1.62
Rot. Bonds4

About tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 87627206) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID87627206
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Nametert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESC/C=C\S(=O)(=O)CCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2O
InChIInChI=1S/C16H25N3O5S/c1-5-7-25(22,23)8-6-19-13-10-18(15(21)24-16(2,3)4)11-14(20)12(13)9-17-19/h5,7,9,14,20H,6,8,10-11H2,1-4H3/b7-5-
InChIKeyAXVFBGKMHDQPKQ-ALCCZGGFSA-N
XLogP1.62
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 150358551
tert-butyl 4-hydroxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 68927757
tert-butyl (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95735407
tert-butyl 3-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484167
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 163323414
tert-butyl 4-[5-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate
CID 139271269
tert-butyl 3-(5-cyano-1-methylpyrazol-4-yl)azetidine-1-carboxylate
CID 168981904
tert-butyl 1-cyclopropyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 90426967
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (CID 87627206) is tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is C/C=C\S(=O)(=O)CCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2O.
What is the InChIKey of tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is AXVFBGKMHDQPKQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-5-7-25(22,23)8-6-19-13-10-18(15(21)24-16(2,3)4)11-14(20)12(13)9-17-19/h5,7,9,14,20H,6,8,10-11H2,1-4H3/b7-5-.
What are the key properties of tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 87627206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).