[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C23H24N6OS — CID 42671448

IUPAC[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCCc1nc(N2CCN(C(=O)c3cccs3)CC2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C23H24N6OS/c1-3-19-24-21(27-11-13-28(14-12-27)23(30)18-10-7-15-31-18)20-16(2)26-29(22(20)25-19)17-8-5-4-6-9-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyGMYJNMUGAHHZCY-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.71
Rot. Bonds4

About [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 42671448) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID42671448
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCCc1nc(N2CCN(C(=O)c3cccs3)CC2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C23H24N6OS/c1-3-19-24-21(27-11-13-28(14-12-27)23(30)18-10-7-15-31-18)20-16(2)26-29(22(20)25-19)17-8-5-4-6-9-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyGMYJNMUGAHHZCY-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(methoxymethyl)-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42673662
[4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671572
[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 42671440
[4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42679075
[4-[1-(2-chlorophenyl)-6-ethyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 42671475
6-ethyl-3-methyl-1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 42671620
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)-6-ethyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671471
cyclopropyl-[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671439
6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 42670632
1-[4-[6-ethyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 42671510
N-tert-butyl-4-[6-(methoxymethyl)-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 42673761
(E)-1-[4-[1-(4-fluorophenyl)-3-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 42808658

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 42671448) is [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is CCc1nc(N2CCN(C(=O)c3cccs3)CC2)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GMYJNMUGAHHZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-3-19-24-21(27-11-13-28(14-12-27)23(30)18-10-7-15-31-18)20-16(2)26-29(22(20)25-19)17-8-5-4-6-9-17/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 432.55 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42671448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).