N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

C26H24FN7O2 — CID 18570179

IUPACN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)C)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
InChIInChI=1S/C26H24FN7O2/c1-16(2)18-4-10-21(11-5-18)36-14-24(35)31-23-12-17(3)32-34(23)26-22-13-30-33(25(22)28-15-29-26)20-8-6-19(27)7-9-20/h4-13,15-16H,14H2,1-3H3,(H,31,35)
InChIKeyWRIIJPNWPIJJAT-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.59
Rot. Bonds7

About N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 18570179) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID18570179
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)C)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
InChIInChI=1S/C26H24FN7O2/c1-16(2)18-4-10-21(11-5-18)36-14-24(35)31-23-12-17(3)32-34(23)26-22-13-30-33(25(22)28-15-29-26)20-8-6-19(27)7-9-20/h4-13,15-16H,14H2,1-3H3,(H,31,35)
InChIKeyWRIIJPNWPIJJAT-UHFFFAOYSA-N
XLogP4.59
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 18570179) is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is WRIIJPNWPIJJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-16(2)18-4-10-21(11-5-18)36-14-24(35)31-23-12-17(3)32-34(23)26-22-13-30-33(25(22)28-15-29-26)20-8-6-19(27)7-9-20/h4-13,15-16H,14H2,1-3H3,(H,31,35).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 485.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 18570179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).