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

C23H18FN7O — CID 18570143

IUPACN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide
SMILESCc1cc(NC(=O)c2ccccc2C)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN7O/c1-14-5-3-4-6-18(14)23(32)28-20-11-15(2)29-31(20)22-19-12-27-30(21(19)25-13-26-22)17-9-7-16(24)8-10-17/h3-13H,1-2H3,(H,28,32)
InChIKeyYMEOXVDGSWRAFV-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.01
Rot. Bonds4

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

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide (PubChem CID 18570143) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide
PubChem CID18570143
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide
SMILESCc1cc(NC(=O)c2ccccc2C)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN7O/c1-14-5-3-4-6-18(14)23(32)28-20-11-15(2)29-31(20)22-19-12-27-30(21(19)25-13-26-22)17-9-7-16(24)8-10-17/h3-13H,1-2H3,(H,28,32)
InChIKeyYMEOXVDGSWRAFV-UHFFFAOYSA-N
XLogP4.01
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methylbenzamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide (CID 18570143) is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide is Cc1cc(NC(=O)c2ccccc2C)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-methylbenzamide?
The InChIKey is YMEOXVDGSWRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c1-14-5-3-4-6-18(14)23(32)28-20-11-15(2)29-31(20)22-19-12-27-30(21(19)25-13-26-22)17-9-7-16(24)8-10-17/h3-13H,1-2H3,(H,28,32).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide?
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylbenzamide has a molecular weight of 427.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-methylbenzamide is sourced from PubChem (CID 18570143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).