N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C18H19BrF2N6 — CID 11959515

IUPACN-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(CN1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrF2N6/c19-13-3-1-12(2-4-13)18(20,21)10-27-7-5-14(6-8-27)25-16-15-9-24-26-17(15)23-11-22-16/h1-4,9,11,14H,5-8,10H2,(H2,22,23,24,25,26)
InChIKeyFOGFBLDBSPFWMI-UHFFFAOYSA-N
MW437.29 g/mol
LogP3.78
Rot. Bonds5

About N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11959515) has the molecular formula C18H19BrF2N6 and a molecular weight of 437.29 g/mol. Its IUPAC name is N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11959515
Molecular FormulaC18H19BrF2N6
Molecular Weight437.29 g/mol
Exact Mass436.08
IUPAC NameN-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(CN1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrF2N6/c19-13-3-1-12(2-4-13)18(20,21)10-27-7-5-14(6-8-27)25-16-15-9-24-26-17(15)23-11-22-16/h1-4,9,11,14H,5-8,10H2,(H2,22,23,24,25,26)
InChIKeyFOGFBLDBSPFWMI-UHFFFAOYSA-N
XLogP3.78
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine 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 N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11959515) is N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(F)(CN1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FOGFBLDBSPFWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF2N6/c19-13-3-1-12(2-4-13)18(20,21)10-27-7-5-14(6-8-27)25-16-15-9-24-26-17(15)23-11-22-16/h1-4,9,11,14H,5-8,10H2,(H2,22,23,24,25,26).
What are the key properties of N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 437.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11959515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).