3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole

C27H27N7O — CID 3011485

IUPAC3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1C(c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C27H27N7O/c1-19-24(20(2)35-31-19)25(21-9-5-3-6-10-21)32-13-15-33(16-14-32)26-23-17-30-34(27(23)29-18-28-26)22-11-7-4-8-12-22/h3-12,17-18,25H,13-16H2,1-2H3
InChIKeyWBASFZZBTMEKQN-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.33
Rot. Bonds5

About 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 3011485) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID3011485
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1C(c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C27H27N7O/c1-19-24(20(2)35-31-19)25(21-9-5-3-6-10-21)32-13-15-33(16-14-32)26-23-17-30-34(27(23)29-18-28-26)22-11-7-4-8-12-22/h3-12,17-18,25H,13-16H2,1-2H3
InChIKeyWBASFZZBTMEKQN-UHFFFAOYSA-N
XLogP4.33
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 3011485) is 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1C(c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is WBASFZZBTMEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-19-24(20(2)35-31-19)25(21-9-5-3-6-10-21)32-13-15-33(16-14-32)26-23-17-30-34(27(23)29-18-28-26)22-11-7-4-8-12-22/h3-12,17-18,25H,13-16H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 465.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 3011485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).