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

C19H23N5O3 — CID 87009738

IUPAC3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(CCO)C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C19H23N5O3/c1-13-16-10-15(11-20-18(16)23(2)22-13)21-19(26)24(8-9-25)12-14-6-4-5-7-17(14)27-3/h4-7,10-11,25H,8-9,12H2,1-3H3,(H,21,26)
InChIKeyQIJYWIDHJNEUHR-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.31
Rot. Bonds6

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

3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 87009738) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
PubChem CID87009738
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(CCO)C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C19H23N5O3/c1-13-16-10-15(11-20-18(16)23(2)22-13)21-19(26)24(8-9-25)12-14-6-4-5-7-17(14)27-3/h4-7,10-11,25H,8-9,12H2,1-3H3,(H,21,26)
InChIKeyQIJYWIDHJNEUHR-UHFFFAOYSA-N
XLogP2.31
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-butyl-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)urea
CID 110892708
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-1-methylurea
CID 86871289
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
CID 146124549
3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 55819798
2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 55819269
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 111122114
methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55775470
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 87013252
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 86993906
N-(2,6-dimethylphenyl)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl-methylamino]acetamide
CID 86993944

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea (CID 87009738) is 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CN(CCO)C(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The InChIKey is QIJYWIDHJNEUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-16-10-15(11-20-18(16)23(2)22-13)21-19(26)24(8-9-25)12-14-6-4-5-7-17(14)27-3/h4-7,10-11,25H,8-9,12H2,1-3H3,(H,21,26).
What are the key properties of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 369.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 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-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 87009738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).