[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone

C26H27FN6O — CID 42671440

IUPAC[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCCc1nc(N2CCN(C(=O)c3ccccc3F)CC2)c2c(C)nn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C26H27FN6O/c1-4-22-28-24(23-18(3)30-33(25(23)29-22)19-11-9-17(2)10-12-19)31-13-15-32(16-14-31)26(34)20-7-5-6-8-21(20)27/h5-12H,4,13-16H2,1-3H3
InChIKeyUKIOVDZRVFQMHO-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.10
Rot. Bonds4

About [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone

[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 42671440) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID42671440
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCCc1nc(N2CCN(C(=O)c3ccccc3F)CC2)c2c(C)nn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C26H27FN6O/c1-4-22-28-24(23-18(3)30-33(25(23)29-22)19-11-9-17(2)10-12-19)31-13-15-32(16-14-31)26(34)20-7-5-6-8-21(20)27/h5-12H,4,13-16H2,1-3H3
InChIKeyUKIOVDZRVFQMHO-UHFFFAOYSA-N
XLogP4.10
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 42673509
cyclopropyl-[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671439
(2-fluorophenyl)-[4-[1-(4-fluorophenyl)-3-methyl-6-[(2S)-pentan-2-yl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 93299080
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)-6-ethyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671471
6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 42670632
[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671448
(2-fluorophenyl)-[4-[1-(4-fluorophenyl)-3-methyl-6-[(2S)-pentan-2-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 93299174
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-ethyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 42671475
(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
[4-[1-(2-chlorophenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 42672676
4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-phenylpiperazine-1-carboxamide
CID 42671605

Frequently Asked Questions

What is the IUPAC name of [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 42671440) is [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone is CCc1nc(N2CCN(C(=O)c3ccccc3F)CC2)c2c(C)nn(-c3ccc(C)cc3)c2n1.
What is the InChIKey of [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is UKIOVDZRVFQMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-4-22-28-24(23-18(3)30-33(25(23)29-22)19-11-9-17(2)10-12-19)31-13-15-32(16-14-31)26(34)20-7-5-6-8-21(20)27/h5-12H,4,13-16H2,1-3H3.
What are the key properties of [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 458.54 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 42671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).