3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one

C12H11N5O2 — CID 136506414

IUPAC3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESNc1c2c(=O)[nH]c(O)cc2nn1Cc1ccccn1
InChIInChI=1S/C12H11N5O2/c13-11-10-8(5-9(18)15-12(10)19)16-17(11)6-7-3-1-2-4-14-7/h1-5,18H,6,13H2,(H,15,19)
InChIKeyMQJMALGUULOLJD-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.46
Rot. Bonds2

About 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one

3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 136506414) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID136506414
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESNc1c2c(=O)[nH]c(O)cc2nn1Cc1ccccn1
InChIInChI=1S/C12H11N5O2/c13-11-10-8(5-9(18)15-12(10)19)16-17(11)6-7-3-1-2-4-14-7/h1-5,18H,6,13H2,(H,15,19)
InChIKeyMQJMALGUULOLJD-UHFFFAOYSA-N
XLogP0.46
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one (CID 136506414) is 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one is Nc1c2c(=O)[nH]c(O)cc2nn1Cc1ccccn1.
What is the InChIKey of 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is MQJMALGUULOLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c13-11-10-8(5-9(18)15-12(10)19)16-17(11)6-7-3-1-2-4-14-7/h1-5,18H,6,13H2,(H,15,19).
What are the key properties of 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 257.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 136506414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).