1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride

C6H7Cl2N3O — CID 137303534

IUPAC1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride
SMILESCl.Cl.O=c1cc[nH]c2[nH]ncc12
InChIInChI=1S/C6H5N3O.2ClH/c10-5-1-2-7-6-4(5)3-8-9-6;;/h1-3H,(H2,7,8,9,10);2*1H
InChIKeyXNAPRPGGTYYJHN-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.09
Rot. Bonds

About 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride

1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride (PubChem CID 137303534) has the molecular formula C6H7Cl2N3O and a molecular weight of 208.05 g/mol. Its IUPAC name is 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride
PubChem CID137303534
Molecular FormulaC6H7Cl2N3O
Molecular Weight208.05 g/mol
Exact Mass207.00
IUPAC Name1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride
SMILESCl.Cl.O=c1cc[nH]c2[nH]ncc12
InChIInChI=1S/C6H5N3O.2ClH/c10-5-1-2-7-6-4(5)3-8-9-6;;/h1-3H,(H2,7,8,9,10);2*1H
InChIKeyXNAPRPGGTYYJHN-UHFFFAOYSA-N
XLogP1.09
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride?
The IUPAC name of 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride (CID 137303534) is 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride.
What is the SMILES notation for 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride?
The canonical SMILES for 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride is Cl.Cl.O=c1cc[nH]c2[nH]ncc12.
What is the InChIKey of 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride?
The InChIKey is XNAPRPGGTYYJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.2ClH/c10-5-1-2-7-6-4(5)3-8-9-6;;/h1-3H,(H2,7,8,9,10);2*1H.
What are the key properties of 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride?
1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride has a molecular weight of 208.05 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride is sourced from PubChem (CID 137303534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).