1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea

C13H10ClN5O — CID 110874440

IUPAC1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1[nH]nc2ncccc12
InChIInChI=1S/C13H10ClN5O/c14-8-3-1-4-9(7-8)16-13(20)17-12-10-5-2-6-15-11(10)18-19-12/h1-7H,(H3,15,16,17,18,19,20)
InChIKeyCTFUSUCURRAPNH-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.26
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea

1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea (PubChem CID 110874440) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
PubChem CID110874440
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1[nH]nc2ncccc12
InChIInChI=1S/C13H10ClN5O/c14-8-3-1-4-9(7-8)16-13(20)17-12-10-5-2-6-15-11(10)18-19-12/h1-7H,(H3,15,16,17,18,19,20)
InChIKeyCTFUSUCURRAPNH-UHFFFAOYSA-N
XLogP3.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
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CID 110472353
1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea
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2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
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4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110868084
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 104620440
CID 73055968
CID 73055968
CID 168763640
CID 168763640
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
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1-(3-chlorophenyl)-3-imidazo[1,2-a]pyridin-8-ylurea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea (CID 110874440) is 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1[nH]nc2ncccc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea?
The InChIKey is CTFUSUCURRAPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-8-3-1-4-9(7-8)16-13(20)17-12-10-5-2-6-15-11(10)18-19-12/h1-7H,(H3,15,16,17,18,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea?
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea has a molecular weight of 287.71 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea is sourced from PubChem (CID 110874440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).