1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea

C15H14ClN5O2 — CID 100619755

IUPAC1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
SMILESCc1nn(C)c2ncc(NC(=O)Nc3ccc(O)c(Cl)c3)cc12
InChIInChI=1S/C15H14ClN5O2/c1-8-11-5-10(7-17-14(11)21(2)20-8)19-15(23)18-9-3-4-13(22)12(16)6-9/h3-7,22H,1-2H3,(H2,18,19,23)
InChIKeyOTTSPJGSZNHPMN-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.28
Rot. Bonds2

About 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea

1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea (PubChem CID 100619755) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
PubChem CID100619755
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
SMILESCc1nn(C)c2ncc(NC(=O)Nc3ccc(O)c(Cl)c3)cc12
InChIInChI=1S/C15H14ClN5O2/c1-8-11-5-10(7-17-14(11)21(2)20-8)19-15(23)18-9-3-4-13(22)12(16)6-9/h3-7,22H,1-2H3,(H2,18,19,23)
InChIKeyOTTSPJGSZNHPMN-UHFFFAOYSA-N
XLogP3.28
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
2-(2-chlorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334528
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
CID 31520358
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2,2,2-trifluoro-1-phenylethyl)urea
CID 87007491
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 55515651
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 71976488
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea
CID 56813426

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea (CID 100619755) is 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea is Cc1nn(C)c2ncc(NC(=O)Nc3ccc(O)c(Cl)c3)cc12.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea?
The InChIKey is OTTSPJGSZNHPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-8-11-5-10(7-17-14(11)21(2)20-8)19-15(23)18-9-3-4-13(22)12(16)6-9/h3-7,22H,1-2H3,(H2,18,19,23).
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea?
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea has a molecular weight of 331.76 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea is sourced from PubChem (CID 100619755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).