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

C18H21N5O2 — CID 146124549

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
SMILESCCOc1ccccc1CNC(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C18H21N5O2/c1-4-25-16-8-6-5-7-13(16)10-20-18(24)21-14-9-15-12(2)22-23(3)17(15)19-11-14/h5-9,11H,4,10H2,1-3H3,(H2,20,21,24)
InChIKeyKSROMBCFQMKCAJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.00
Rot. Bonds5

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

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea (PubChem CID 146124549) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
PubChem CID146124549
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
SMILESCCOc1ccccc1CNC(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C18H21N5O2/c1-4-25-16-8-6-5-7-13(16)10-20-18(24)21-14-9-15-12(2)22-23(3)17(15)19-11-14/h5-9,11H,4,10H2,1-3H3,(H2,20,21,24)
InChIKeyKSROMBCFQMKCAJ-UHFFFAOYSA-N
XLogP3.00
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 51082037
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea
CID 56813426
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51334513
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857890
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 87009738
(2R)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenoxypropanamide
CID 30342927
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473744
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 95126845
1-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 71888682
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
CID 79809258

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea (CID 146124549) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea is CCOc1ccccc1CNC(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea?
The InChIKey is KSROMBCFQMKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-25-16-8-6-5-7-13(16)10-20-18(24)21-14-9-15-12(2)22-23(3)17(15)19-11-14/h5-9,11H,4,10H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea has a molecular weight of 339.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea is sourced from PubChem (CID 146124549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).