1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea

C14H12FN5O — CID 53373996

IUPAC1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
SMILESCc1cc(NC(=O)Nc2n[nH]c3cccnc23)ccc1F
InChIInChI=1S/C14H12FN5O/c1-8-7-9(4-5-10(8)15)17-14(21)18-13-12-11(19-20-13)3-2-6-16-12/h2-7H,1H3,(H3,17,18,19,20,21)
InChIKeyQUEHFHZVAWHGCG-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.05
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea

1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea (PubChem CID 53373996) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
PubChem CID53373996
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
SMILESCc1cc(NC(=O)Nc2n[nH]c3cccnc23)ccc1F
InChIInChI=1S/C14H12FN5O/c1-8-7-9(4-5-10(8)15)17-14(21)18-13-12-11(19-20-13)3-2-6-16-12/h2-7H,1H3,(H3,17,18,19,20,21)
InChIKeyQUEHFHZVAWHGCG-UHFFFAOYSA-N
XLogP3.05
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea (CID 53373996) is 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea is Cc1cc(NC(=O)Nc2n[nH]c3cccnc23)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea?
The InChIKey is QUEHFHZVAWHGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-8-7-9(4-5-10(8)15)17-14(21)18-13-12-11(19-20-13)3-2-6-16-12/h2-7H,1H3,(H3,17,18,19,20,21).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea?
1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea has a molecular weight of 285.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea is sourced from PubChem (CID 53373996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).