4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

C23H22ClFN6 — CID 42667781

IUPAC4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCC1CCN(c2nc(-c3ccccc3Cl)c3c(N)n(-c4ccc(F)cc4)nc3n2)CC1
InChIInChI=1S/C23H22ClFN6/c1-14-10-12-30(13-11-14)23-27-20(17-4-2-3-5-18(17)24)19-21(26)31(29-22(19)28-23)16-8-6-15(25)7-9-16/h2-9,14H,10-13,26H2,1H3
InChIKeyYYROEFTUHTWPAF-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.09
Rot. Bonds3

About 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42667781) has the molecular formula C23H22ClFN6 and a molecular weight of 436.92 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42667781
Molecular FormulaC23H22ClFN6
Molecular Weight436.92 g/mol
Exact Mass436.16
IUPAC Name4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCC1CCN(c2nc(-c3ccccc3Cl)c3c(N)n(-c4ccc(F)cc4)nc3n2)CC1
InChIInChI=1S/C23H22ClFN6/c1-14-10-12-30(13-11-14)23-27-20(17-4-2-3-5-18(17)24)19-21(26)31(29-22(19)28-23)16-8-6-15(25)7-9-16/h2-9,14H,10-13,26H2,1H3
InChIKeyYYROEFTUHTWPAF-UHFFFAOYSA-N
XLogP5.09
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668828
2,4-bis(4-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667944
4-(2-chlorophenyl)-6-N-(cyclopropylmethyl)-2-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667787
4-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42807757
4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667796
4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667827
2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667891
6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667834
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667913
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-4-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667976
2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807963
2-(4-chlorophenyl)-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42807948

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (CID 42667781) is 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is CC1CCN(c2nc(-c3ccccc3Cl)c3c(N)n(-c4ccc(F)cc4)nc3n2)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is YYROEFTUHTWPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6/c1-14-10-12-30(13-11-14)23-27-20(17-4-2-3-5-18(17)24)19-21(26)31(29-22(19)28-23)16-8-6-15(25)7-9-16/h2-9,14H,10-13,26H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 436.92 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42667781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).