4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine

C19H26N4O6P2 — CID 15531093

IUPAC4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCCOP(=O)(OCC)c1nc(P(=O)(OCC)OCC)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H26N4O6P2/c1-5-26-30(24,27-6-2)18-16-14-20-23(15-12-10-9-11-13-15)17(16)21-19(22-18)31(25,28-7-3)29-8-4/h9-14H,5-8H2,1-4H3
InChIKeyCEJFPWQFEKXBBZ-UHFFFAOYSA-N
MW468.39 g/mol
LogP3.60
Rot. Bonds11

About 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine

4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 15531093) has the molecular formula C19H26N4O6P2 and a molecular weight of 468.39 g/mol. Its IUPAC name is 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID15531093
Molecular FormulaC19H26N4O6P2
Molecular Weight468.39 g/mol
Exact Mass468.13
IUPAC Name4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCCOP(=O)(OCC)c1nc(P(=O)(OCC)OCC)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H26N4O6P2/c1-5-26-30(24,27-6-2)18-16-14-20-23(15-12-10-9-11-13-15)17(16)21-19(22-18)31(25,28-7-3)29-8-4/h9-14H,5-8H2,1-4H3
InChIKeyCEJFPWQFEKXBBZ-UHFFFAOYSA-N
XLogP3.60
TPSA114.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone
CID 10711371
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
ethyl (2R)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanoate
CID 136801862
6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991265
ethyl 2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]butanoate
CID 135482436
6-butan-2-ylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135468804
6-chloro-3-diethoxyphosphoryl-2-phenylindazole
CID 167433131
N,N-diethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135543515
4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 71577988
N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882306
6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276018
N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 7995915

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 15531093) is 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine is CCOP(=O)(OCC)c1nc(P(=O)(OCC)OCC)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is CEJFPWQFEKXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6P2/c1-5-26-30(24,27-6-2)18-16-14-20-23(15-12-10-9-11-13-15)17(16)21-19(22-18)31(25,28-7-3)29-8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine?
4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 468.39 g/mol, XLogP of 3.60, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 15531093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).