[4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone

C24H23FN6OS — CID 42671572

IUPAC[4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nn(-c2ccc(F)cc2)c2nc(C3CC3)nc(N3CCN(C(=O)c4cccs4)CC3)c12
InChIInChI=1S/C24H23FN6OS/c1-15-20-22(29-10-12-30(13-11-29)24(32)19-3-2-14-33-19)26-21(16-4-5-16)27-23(20)31(28-15)18-8-6-17(25)7-9-18/h2-3,6-9,14,16H,4-5,10-13H2,1H3
InChIKeyGDUYNMWDAGSAIO-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.16
Rot. Bonds4

About [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 42671572) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID42671572
Molecular FormulaC24H23FN6OS
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name[4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nn(-c2ccc(F)cc2)c2nc(C3CC3)nc(N3CCN(C(=O)c4cccs4)CC3)c12
InChIInChI=1S/C24H23FN6OS/c1-15-20-22(29-10-12-30(13-11-29)24(32)19-3-2-14-33-19)26-21(16-4-5-16)27-23(20)31(28-15)18-8-6-17(25)7-9-18/h2-3,6-9,14,16H,4-5,10-13H2,1H3
InChIKeyGDUYNMWDAGSAIO-UHFFFAOYSA-N
XLogP4.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671448
[4-[6-(methoxymethyl)-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42673662
cyclobutyl-[4-(6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671535
[4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42679075
[4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 42675777
cyclobutyl-[4-[1-(4-fluorophenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671493
4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N-ethyl-1,4-diazepane-1-carboxamide
CID 42675810
6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42670714
1-[4-[6-ethyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 42671510
[4-[1-(2-chlorophenyl)-6-cyclopropylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671993
1,3-benzodioxol-5-yl-[4-[1-(4-fluorophenyl)-3-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42808657
1-[4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 42675585

Frequently Asked Questions

What is the IUPAC name of [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 42671572) is [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)nc(N3CCN(C(=O)c4cccs4)CC3)c12.
What is the InChIKey of [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GDUYNMWDAGSAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS/c1-15-20-22(29-10-12-30(13-11-29)24(32)19-3-2-14-33-19)26-21(16-4-5-16)27-23(20)31(28-15)18-8-6-17(25)7-9-18/h2-3,6-9,14,16H,4-5,10-13H2,1H3.
What are the key properties of [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 462.55 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42671572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).