(5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C8H12N4O — CID 135912932

IUPAC(5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESC[C@@H]1Cc2c(N)nn(C)c2NC1=O
InChIInChI=1S/C8H12N4O/c1-4-3-5-6(9)11-12(2)7(5)10-8(4)13/h4H,3H2,1-2H3,(H2,9,11)(H,10,13)/t4-/m1/s1
InChIKeySPCIDKIXSSLIAR-SCSAIBSYSA-N
MW180.21 g/mol
LogP0.13
Rot. Bonds

About (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135912932) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135912932
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESC[C@@H]1Cc2c(N)nn(C)c2NC1=O
InChIInChI=1S/C8H12N4O/c1-4-3-5-6(9)11-12(2)7(5)10-8(4)13/h4H,3H2,1-2H3,(H2,9,11)(H,10,13)/t4-/m1/s1
InChIKeySPCIDKIXSSLIAR-SCSAIBSYSA-N
XLogP0.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135912932) is (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is C[C@@H]1Cc2c(N)nn(C)c2NC1=O.
What is the InChIKey of (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SPCIDKIXSSLIAR-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-4-3-5-6(9)11-12(2)7(5)10-8(4)13/h4H,3H2,1-2H3,(H2,9,11)(H,10,13)/t4-/m1/s1.
What are the key properties of (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135912932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).