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

C14H15N5OS — CID 51082037

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1nn(C)c2ncc(NC(=O)NCc3cccs3)cc12
InChIInChI=1S/C14H15N5OS/c1-9-12-6-10(7-15-13(12)19(2)18-9)17-14(20)16-8-11-4-3-5-21-11/h3-7H,8H2,1-2H3,(H2,16,17,20)
InChIKeyVROSHLJHZDUBLK-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.66
Rot. Bonds3

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

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 51082037) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
PubChem CID51082037
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1nn(C)c2ncc(NC(=O)NCc3cccs3)cc12
InChIInChI=1S/C14H15N5OS/c1-9-12-6-10(7-15-13(12)19(2)18-9)17-14(20)16-8-11-4-3-5-21-11/h3-7H,8H2,1-2H3,(H2,16,17,20)
InChIKeyVROSHLJHZDUBLK-UHFFFAOYSA-N
XLogP2.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.66
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-(furan-3-ylmethyl)urea
CID 56813426
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 52501381
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
CID 146124549
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857890
methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoylamino]-3-thiophen-2-ylpropanoate
CID 51116481
(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 18151319
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoylamino]-2,2-dimethylpropanamide
CID 86993902
1-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 71888682
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
CID 79809258
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473744

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea (CID 51082037) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea is Cc1nn(C)c2ncc(NC(=O)NCc3cccs3)cc12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is VROSHLJHZDUBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9-12-6-10(7-15-13(12)19(2)18-9)17-14(20)16-8-11-4-3-5-21-11/h3-7H,8H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 301.38 g/mol, XLogP of 2.66, 3 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-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 51082037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).