[4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone

C28H30N6O — CID 42674111

IUPAC[4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nc(C3CCCCC3)nc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C28H30N6O/c35-28(22-12-6-2-7-13-22)33-18-16-32(17-19-33)26-24-20-29-34(23-14-8-3-9-15-23)27(24)31-25(30-26)21-10-4-1-5-11-21/h2-3,6-9,12-15,20-21H,1,4-5,10-11,16-19H2
InChIKeyISVKQIBUTALVIU-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.83
Rot. Bonds4

About [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone

[4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 42674111) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
PubChem CID42674111
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name[4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nc(C3CCCCC3)nc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C28H30N6O/c35-28(22-12-6-2-7-13-22)33-18-16-32(17-19-33)26-24-20-29-34(23-14-8-3-9-15-23)27(24)31-25(30-26)21-10-4-1-5-11-21/h2-3,6-9,12-15,20-21H,1,4-5,10-11,16-19H2
InChIKeyISVKQIBUTALVIU-UHFFFAOYSA-N
XLogP4.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-(2-chlorophenyl)-6-cyclohexylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 42672698
(4-chlorophenyl)-[4-[1-(2-chlorophenyl)-6-cyclohexylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42672704
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)-6-cyclohexylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42672695
[4-[1-(2-chlorophenyl)-6-cyclohexylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 42672705
[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 42671831
cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820
[4-[6-[(2S)-pentan-2-yl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenylmethanone
CID 93126671
1-[4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 42675585
4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42675789
1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42672634
6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 42671904
[4-[1-(2-chlorophenyl)-6-cyclopropylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671993

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone (CID 42674111) is [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2nc(C3CCCCC3)nc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is ISVKQIBUTALVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c35-28(22-12-6-2-7-13-22)33-18-16-32(17-19-33)26-24-20-29-34(23-14-8-3-9-15-23)27(24)31-25(30-26)21-10-4-1-5-11-21/h2-3,6-9,12-15,20-21H,1,4-5,10-11,16-19H2.
What are the key properties of [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
[4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 466.59 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 42674111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).