[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate

C24H19Cl2N7O2 — CID 170319734

IUPAC[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate
SMILESN#Cc1nc(N2CCC(OC(N)=O)(c3ccccc3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C24H19Cl2N7O2/c25-16-8-4-7-15(19(16)26)20-18-17(13-27)29-23(30-21(18)32-31-20)33-11-9-24(10-12-33,35-22(28)34)14-5-2-1-3-6-14/h1-8H,9-12H2,(H2,28,34)(H,29,30,31,32)
InChIKeyWLUACJFRGQGRIH-UHFFFAOYSA-N
MW508.37 g/mol
LogP4.79
Rot. Bonds4

About [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate

[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate (PubChem CID 170319734) has the molecular formula C24H19Cl2N7O2 and a molecular weight of 508.37 g/mol. Its IUPAC name is [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate
PubChem CID170319734
Molecular FormulaC24H19Cl2N7O2
Molecular Weight508.37 g/mol
Exact Mass507.10
IUPAC Name[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate
SMILESN#Cc1nc(N2CCC(OC(N)=O)(c3ccccc3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C24H19Cl2N7O2/c25-16-8-4-7-15(19(16)26)20-18-17(13-27)29-23(30-21(18)32-31-20)33-11-9-24(10-12-33,35-22(28)34)14-5-2-1-3-6-14/h1-8H,9-12H2,(H2,28,34)(H,29,30,31,32)
InChIKeyWLUACJFRGQGRIH-UHFFFAOYSA-N
XLogP4.79
TPSA133.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.37
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate?
The IUPAC name of [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate (CID 170319734) is [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate.
What is the SMILES notation for [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate?
The canonical SMILES for [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate is N#Cc1nc(N2CCC(OC(N)=O)(c3ccccc3)CC2)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12.
What is the InChIKey of [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate?
The InChIKey is WLUACJFRGQGRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N7O2/c25-16-8-4-7-15(19(16)26)20-18-17(13-27)29-23(30-21(18)32-31-20)33-11-9-24(10-12-33,35-22(28)34)14-5-2-1-3-6-14/h1-8H,9-12H2,(H2,28,34)(H,29,30,31,32).
What are the key properties of [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate?
[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate has a molecular weight of 508.37 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate is sourced from PubChem (CID 170319734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).