1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea

C18H16FN7O — CID 121418068

IUPAC1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCn1cc(-n2ncc3cc(NC(=O)NCc4ccc(F)cc4)ncc32)cn1
InChIInChI=1S/C18H16FN7O/c1-25-11-15(9-22-25)26-16-10-20-17(6-13(16)8-23-26)24-18(27)21-7-12-2-4-14(19)5-3-12/h2-6,8-11H,7H2,1H3,(H2,20,21,24,27)
InChIKeyFOOZXGXOHFOQGJ-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.61
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea

1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 121418068) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID121418068
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCn1cc(-n2ncc3cc(NC(=O)NCc4ccc(F)cc4)ncc32)cn1
InChIInChI=1S/C18H16FN7O/c1-25-11-15(9-22-25)26-16-10-20-17(6-13(16)8-23-26)24-18(27)21-7-12-2-4-14(19)5-3-12/h2-6,8-11H,7H2,1H3,(H2,20,21,24,27)
InChIKeyFOOZXGXOHFOQGJ-UHFFFAOYSA-N
XLogP2.61
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 121418068) is 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea is Cn1cc(-n2ncc3cc(NC(=O)NCc4ccc(F)cc4)ncc32)cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is FOOZXGXOHFOQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O/c1-25-11-15(9-22-25)26-16-10-20-17(6-13(16)8-23-26)24-18(27)21-7-12-2-4-14(19)5-3-12/h2-6,8-11H,7H2,1H3,(H2,20,21,24,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 365.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 121418068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).