1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea

C13H11N5O — CID 70158064

IUPAC1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1cncc2[nH]ncc12
InChIInChI=1S/C13H11N5O/c19-13(16-9-4-2-1-3-5-9)17-11-7-14-8-12-10(11)6-15-18-12/h1-8H,(H,15,18)(H2,16,17,19)
InChIKeyJYOZUKADVQLHEV-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.60
Rot. Bonds2

About 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea

1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea (PubChem CID 70158064) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea
PubChem CID70158064
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1cncc2[nH]ncc12
InChIInChI=1S/C13H11N5O/c19-13(16-9-4-2-1-3-5-9)17-11-7-14-8-12-10(11)6-15-18-12/h1-8H,(H,15,18)(H2,16,17,19)
InChIKeyJYOZUKADVQLHEV-UHFFFAOYSA-N
XLogP2.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea
CID 135277970
N-methyl-1H-pyrazolo[3,4-c]pyridin-4-amine
CID 169111831
1-(3-amino-4-pyridinyl)-3-phenylurea
CID 63061923
1-phenyl-3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]urea
CID 133295984
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid
CID 141201305
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
1-phenyl-3-[3-(phenylcarbamoylamino)phenazin-2-yl]urea
CID 102390231
1-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 133295939
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea?
The IUPAC name of 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea (CID 70158064) is 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea.
What is the SMILES notation for 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea?
The canonical SMILES for 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea is O=C(Nc1ccccc1)Nc1cncc2[nH]ncc12.
What is the InChIKey of 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea?
The InChIKey is JYOZUKADVQLHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(16-9-4-2-1-3-5-9)17-11-7-14-8-12-10(11)6-15-18-12/h1-8H,(H,15,18)(H2,16,17,19).
What are the key properties of 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea?
1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea has a molecular weight of 253.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea is sourced from PubChem (CID 70158064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).