3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea

C19H23N5O — CID 86993906

IUPAC3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)N(C)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1
InChIInChI=1S/C19H23N5O/c1-12-6-8-15(9-7-12)14(3)23(4)19(25)21-16-10-17-13(2)22-24(5)18(17)20-11-16/h6-11,14H,1-5H3,(H,21,25)
InChIKeyXYTFTGKZGJPQAD-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.81
Rot. Bonds3

About 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea

3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea (PubChem CID 86993906) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
PubChem CID86993906
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)N(C)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1
InChIInChI=1S/C19H23N5O/c1-12-6-8-15(9-7-12)14(3)23(4)19(25)21-16-10-17-13(2)22-24(5)18(17)20-11-16/h6-11,14H,1-5H3,(H,21,25)
InChIKeyXYTFTGKZGJPQAD-UHFFFAOYSA-N
XLogP3.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea (CID 86993906) is 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea is Cc1ccc(C(C)N(C)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1.
What is the InChIKey of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is XYTFTGKZGJPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-6-8-15(9-7-12)14(3)23(4)19(25)21-16-10-17-13(2)22-24(5)18(17)20-11-16/h6-11,14H,1-5H3,(H,21,25).
What are the key properties of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 337.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 86993906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).