1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea

C21H18FN5O — CID 24988316

IUPAC1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1
InChIInChI=1S/C21H18FN5O/c1-13-3-8-18(22)19(9-13)26-21(28)25-15-6-4-14(5-7-15)16-10-23-12-20-17(16)11-24-27(20)2/h3-12H,1-2H3,(H2,25,26,28)
InChIKeyYDDRSPUPYASHPD-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.73
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea

1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (PubChem CID 24988316) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
PubChem CID24988316
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1
InChIInChI=1S/C21H18FN5O/c1-13-3-8-18(22)19(9-13)26-21(28)25-15-6-4-14(5-7-15)16-10-23-12-20-17(16)11-24-27(20)2/h3-12H,1-2H3,(H2,25,26,28)
InChIKeyYDDRSPUPYASHPD-UHFFFAOYSA-N
XLogP4.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (CID 24988316) is 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The InChIKey is YDDRSPUPYASHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13-3-8-18(22)19(9-13)26-21(28)25-15-6-4-14(5-7-15)16-10-23-12-20-17(16)11-24-27(20)2/h3-12H,1-2H3,(H2,25,26,28).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea has a molecular weight of 375.41 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 24988316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).