6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine

C19H24N6 — CID 24716524

IUPAC6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)Cc1nc(N2CCNCC2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H24N6/c1-14(2)12-17-22-18(24-10-8-20-9-11-24)16-13-21-25(19(16)23-17)15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3
InChIKeyMOFRBCDWVRUKOB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.42
Rot. Bonds4

About 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine

6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 24716524) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID24716524
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)Cc1nc(N2CCNCC2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H24N6/c1-14(2)12-17-22-18(24-10-8-20-9-11-24)16-13-21-25(19(16)23-17)15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3
InChIKeyMOFRBCDWVRUKOB-UHFFFAOYSA-N
XLogP2.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-4-piperazin-1-yl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 42671771
6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42805374
1-[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one
CID 42671829
(2R)-2-chloro-1-[4-(1-phenyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93126529
3-methyl-1-[4-(1-phenyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one
CID 42674051
(2R)-2-chloro-1-[4-(1-phenyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 93126543
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
(2S)-2-phenyl-1-[4-(1-phenyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 93126527
[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 42671831
1-[4-[6-[(2S)-pentan-2-yl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93126617
1-[4-[6-[(2R)-pentan-2-yl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93126616
1-[4-[6-[(2S)-butan-2-yl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 93140905

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine (CID 24716524) is 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine is CC(C)Cc1nc(N2CCNCC2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is MOFRBCDWVRUKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14(2)12-17-22-18(24-10-8-20-9-11-24)16-13-21-25(19(16)23-17)15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 24716524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).