1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one

C11H13N3O5 — CID 46877043

IUPAC1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=C1CC=Nc2c1cnn2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N3O5/c15-4-7-8(17)9(18)11(19-7)14-10-5(3-13-14)6(16)1-2-12-10/h2-3,7-9,11,15,17-18H,1,4H2/t7-,8-,9-,11?/m1/s1
InChIKeyNGHBGRWEFZWQAX-YIPHXTPMSA-N
MW267.24 g/mol
LogP-1.22
Rot. Bonds2

About 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one

1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 46877043) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID46877043
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=C1CC=Nc2c1cnn2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N3O5/c15-4-7-8(17)9(18)11(19-7)14-10-5(3-13-14)6(16)1-2-12-10/h2-3,7-9,11,15,17-18H,1,4H2/t7-,8-,9-,11?/m1/s1
InChIKeyNGHBGRWEFZWQAX-YIPHXTPMSA-N
XLogP-1.22
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one (CID 46877043) is 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one is O=C1CC=Nc2c1cnn2C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is NGHBGRWEFZWQAX-YIPHXTPMSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-4-7-8(17)9(18)11(19-7)14-10-5(3-13-14)6(16)1-2-12-10/h2-3,7-9,11,15,17-18H,1,4H2/t7-,8-,9-,11?/m1/s1.
What are the key properties of 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one?
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 267.24 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 46877043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).