3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H23ClN6 — CID 59633644

IUPAC3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)CC1
InChIInChI=1S/C19H23ClN6/c1-12(2)25-9-7-15(8-10-25)26-19-16(18(21)22-11-23-19)17(24-26)13-3-5-14(20)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22,23)
InChIKeyZHDSXTFYYJZTDS-UHFFFAOYSA-N
MW370.89 g/mol
LogP3.77
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633644) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633644
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)CC1
InChIInChI=1S/C19H23ClN6/c1-12(2)25-9-7-15(8-10-25)26-19-16(18(21)22-11-23-19)17(24-26)13-3-5-14(20)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22,23)
InChIKeyZHDSXTFYYJZTDS-UHFFFAOYSA-N
XLogP3.77
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
1-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 78137211
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
3-(4-methylphenyl)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 145124778
3-(4-phenoxyphenyl)-1-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362318
3-[4-(4-methylphenoxy)phenyl]-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166940834
(E)-1-[(3R)-3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 71256249
3-(4-amino-3-fluorophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386267
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
2,4-bis[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-1,5-bis(dimethylamino)pentan-3-one
CID 152692680
3-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropanenitrile
CID 71043189
3-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 69204810

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 59633644) is 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZHDSXTFYYJZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c1-12(2)25-9-7-15(8-10-25)26-19-16(18(21)22-11-23-19)17(24-26)13-3-5-14(20)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22,23).
What are the key properties of 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 370.89 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).