N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide

C21H19N5O3 — CID 2425540

IUPACN-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C21H19N5O3/c1-28-17-9-7-15(8-10-17)11-22-19(27)13-29-21-18-12-25-26(20(18)23-14-24-21)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,22,27)
InChIKeyRRRNCUOKKIMFBZ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.52
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide

N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 2425540) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
PubChem CID2425540
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C21H19N5O3/c1-28-17-9-7-15(8-10-17)11-22-19(27)13-29-21-18-12-25-26(20(18)23-14-24-21)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,22,27)
InChIKeyRRRNCUOKKIMFBZ-UHFFFAOYSA-N
XLogP2.52
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide (CID 2425540) is N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide is COc1ccc(CNC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is RRRNCUOKKIMFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-28-17-9-7-15(8-10-17)11-22-19(27)13-29-21-18-12-25-26(20(18)23-14-24-21)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,22,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 389.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 2425540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).