N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide

C19H16N6O — CID 661098

IUPACN-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C19H16N6O/c1-13(26)23-14-7-9-15(10-8-14)24-18-17-11-22-25(19(17)21-12-20-18)16-5-3-2-4-6-16/h2-12H,1H3,(H,23,26)(H,20,21,24)
InChIKeyUCGSZMQNAYNTCC-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.52
Rot. Bonds4

About N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide

N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 661098) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID661098
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C19H16N6O/c1-13(26)23-14-7-9-15(10-8-14)24-18-17-11-22-25(19(17)21-12-20-18)16-5-3-2-4-6-16/h2-12H,1H3,(H,23,26)(H,20,21,24)
InChIKeyUCGSZMQNAYNTCC-UHFFFAOYSA-N
XLogP3.52
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide (CID 661098) is N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is UCGSZMQNAYNTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-13(26)23-14-7-9-15(10-8-14)24-18-17-11-22-25(19(17)21-12-20-18)16-5-3-2-4-6-16/h2-12H,1H3,(H,23,26)(H,20,21,24).
What are the key properties of N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide?
N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 661098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).