(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone

C20H16N4O — CID 10711371

IUPAC(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone
SMILESCCc1nc(C(=O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C20H16N4O/c1-2-17-22-18(19(25)14-9-5-3-6-10-14)16-13-21-24(20(16)23-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyZXIBOSJIDIMEDP-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.61
Rot. Bonds4

About (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone

(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone (PubChem CID 10711371) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone
PubChem CID10711371
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone
SMILESCCc1nc(C(=O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C20H16N4O/c1-2-17-22-18(19(25)14-9-5-3-6-10-14)16-13-21-24(20(16)23-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyZXIBOSJIDIMEDP-UHFFFAOYSA-N
XLogP3.61
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10544535
(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10665128
(4-bromophenyl)-(5-ethyl-3-phenyltriazolo[4,5-d]pyrimidin-7-yl)methanone
CID 10549409
[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 42671831
1-[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one
CID 42671829
(2-chlorophenyl)-[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 83282746
[4-[6-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 42673509
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
(2R)-2-chloro-1-[4-(1-phenyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93126529
4,6-bis(diethoxyphosphoryl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 15531093
(2S)-2-phenyl-1-[4-(1-phenyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 93126527
N,N-diethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135543515

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone?
The IUPAC name of (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone (CID 10711371) is (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone.
What is the SMILES notation for (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone?
The canonical SMILES for (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone is CCc1nc(C(=O)c2ccccc2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone?
The InChIKey is ZXIBOSJIDIMEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-17-22-18(19(25)14-9-5-3-6-10-14)16-13-21-24(20(16)23-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone?
(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone has a molecular weight of 328.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone is sourced from PubChem (CID 10711371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).