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

C14H15N5O2 — CID 56813426

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea
SMILESCc1nn(C)c2ncc(NC(=O)NCc3ccoc3)cc12
InChIInChI=1S/C14H15N5O2/c1-9-12-5-11(7-15-13(12)19(2)18-9)17-14(20)16-6-10-3-4-21-8-10/h3-5,7-8H,6H2,1-2H3,(H2,16,17,20)
InChIKeyRSNGVFLOLSWFTR-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.19
Rot. Bonds3

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

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea (PubChem CID 56813426) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea
PubChem CID56813426
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea
SMILESCc1nn(C)c2ncc(NC(=O)NCc3ccoc3)cc12
InChIInChI=1S/C14H15N5O2/c1-9-12-5-11(7-15-13(12)19(2)18-9)17-14(20)16-6-10-3-4-21-8-10/h3-5,7-8H,6H2,1-2H3,(H2,16,17,20)
InChIKeyRSNGVFLOLSWFTR-UHFFFAOYSA-N
XLogP2.19
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.19
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-[(2-ethoxyphenyl)methyl]urea
CID 146124549
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
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)carbamoylamino]-2,2-dimethylpropanamide
CID 86993902
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-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 100619755
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 71976488
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 62637301
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)-3-(4-fluorophenyl)propanamide
CID 51334598

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea (CID 56813426) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea is Cc1nn(C)c2ncc(NC(=O)NCc3ccoc3)cc12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea?
The InChIKey is RSNGVFLOLSWFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-12-5-11(7-15-13(12)19(2)18-9)17-14(20)16-6-10-3-4-21-8-10/h3-5,7-8H,6H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea has a molecular weight of 285.31 g/mol, XLogP of 2.19, 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-(furan-3-ylmethyl)urea is sourced from PubChem (CID 56813426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).