3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C15H18N6O2 — CID 47040420

IUPAC3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)Nc2cnc3c(c2)c(C)nn3C)no1
InChIInChI=1S/C15H18N6O2/c1-9-5-12(19-23-9)8-20(3)15(22)17-11-6-13-10(2)18-21(4)14(13)16-7-11/h5-7H,8H2,1-4H3,(H,17,22)
InChIKeyYCHAZMMEOAFOKG-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.24
Rot. Bonds3

About 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47040420) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47040420
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)Nc2cnc3c(c2)c(C)nn3C)no1
InChIInChI=1S/C15H18N6O2/c1-9-5-12(19-23-9)8-20(3)15(22)17-11-6-13-10(2)18-21(4)14(13)16-7-11/h5-7H,8H2,1-4H3,(H,17,22)
InChIKeyYCHAZMMEOAFOKG-UHFFFAOYSA-N
XLogP2.24
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 47040420) is 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)Nc2cnc3c(c2)c(C)nn3C)no1.
What is the InChIKey of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is YCHAZMMEOAFOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9-5-12(19-23-9)8-20(3)15(22)17-11-6-13-10(2)18-21(4)14(13)16-7-11/h5-7H,8H2,1-4H3,(H,17,22).
What are the key properties of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 314.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47040420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).