N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide

C20H17N5O3 — CID 137258332

IUPACN,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide
SMILESCN(C)C(=O)c1cccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C20H17N5O3/c1-24(2)19(27)13-7-6-10-15(11-13)28-20-22-17-16(18(26)23-20)12-21-25(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,22,23,26)
InChIKeyRSULIRYPASXJRO-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.60
Rot. Bonds4

About N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide

N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide (PubChem CID 137258332) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide
PubChem CID137258332
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide
SMILESCN(C)C(=O)c1cccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C20H17N5O3/c1-24(2)19(27)13-7-6-10-15(11-13)28-20-22-17-16(18(26)23-20)12-21-25(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,22,23,26)
InChIKeyRSULIRYPASXJRO-UHFFFAOYSA-N
XLogP2.60
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide?
The IUPAC name of N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide (CID 137258332) is N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide is CN(C)C(=O)c1cccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1.
What is the InChIKey of N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide?
The InChIKey is RSULIRYPASXJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-24(2)19(27)13-7-6-10-15(11-13)28-20-22-17-16(18(26)23-20)12-21-25(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,22,23,26).
What are the key properties of N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide?
N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide has a molecular weight of 375.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide is sourced from PubChem (CID 137258332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).