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

C19H15ClN6O — CID 11603296

IUPAC1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESNc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
InChIInChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)15-8-9-22-18-16(15)17(21)25-26-18/h1-10H,(H2,23,24,27)(H3,21,22,25,26)
InChIKeyBEEFOSWSKBSHCE-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.50
Rot. Bonds3

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

1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 11603296) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
PubChem CID11603296
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESNc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
InChIInChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)15-8-9-22-18-16(15)17(21)25-26-18/h1-10H,(H2,23,24,27)(H3,21,22,25,26)
InChIKeyBEEFOSWSKBSHCE-UHFFFAOYSA-N
XLogP4.50
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea (CID 11603296) is 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea is Nc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12.
What is the InChIKey of 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is BEEFOSWSKBSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)15-8-9-22-18-16(15)17(21)25-26-18/h1-10H,(H2,23,24,27)(H3,21,22,25,26).
What are the key properties of 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 378.82 g/mol, XLogP of 4.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 11603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).