5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one

C12H10ClN5O — CID 171659479

IUPAC5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCn1[nH]c2ncc(-c3cc(N)ncc3Cl)cc2c1=O
InChIInChI=1S/C12H10ClN5O/c1-18-12(19)8-2-6(4-16-11(8)17-18)7-3-10(14)15-5-9(7)13/h2-5H,1H3,(H2,14,15)(H,16,17)
InChIKeyVFAUAARHOZCARC-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.56
Rot. Bonds1

About 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one

5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 171659479) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID171659479
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCn1[nH]c2ncc(-c3cc(N)ncc3Cl)cc2c1=O
InChIInChI=1S/C12H10ClN5O/c1-18-12(19)8-2-6(4-16-11(8)17-18)7-3-10(14)15-5-9(7)13/h2-5H,1H3,(H2,14,15)(H,16,17)
InChIKeyVFAUAARHOZCARC-UHFFFAOYSA-N
XLogP1.56
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-3-pyridinyl)-5-chloropyridin-2-amine
CID 123343700
2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 143285060
2-[5-(2-amino-5-chloro-4-pyridinyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanol
CID 171660836
5-chloro-4-phenylpyridin-2-amine
CID 53485508
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 171527021
5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-fluoro-2-methyl-1H-indazol-3-one
CID 142428003
12-(4-ethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
CID 70942423
2-(2-amino-5-chloro-4-pyridinyl)phenol
CID 139543768
5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
CID 171659655
6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine
CID 67980486
2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane
CID 171659471
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 171659479) is 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one is Cn1[nH]c2ncc(-c3cc(N)ncc3Cl)cc2c1=O.
What is the InChIKey of 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is VFAUAARHOZCARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-18-12(19)8-2-6(4-16-11(8)17-18)7-3-10(14)15-5-9(7)13/h2-5H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 275.70 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 171659479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).