N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C24H18FN5 — CID 27557651

IUPACN-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccc(-n2ncc3c(NC(c4ccccc4)c4ccccc4)ncnc32)cc1
InChIInChI=1S/C24H18FN5/c25-19-11-13-20(14-12-19)30-24-21(15-28-30)23(26-16-27-24)29-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22H,(H,26,27,29)
InChIKeyHTODAHNPZDXRHL-UHFFFAOYSA-N
MW395.44 g/mol
LogP5.16
Rot. Bonds5

About N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 27557651) has the molecular formula C24H18FN5 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID27557651
Molecular FormulaC24H18FN5
Molecular Weight395.44 g/mol
Exact Mass395.15
IUPAC NameN-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccc(-n2ncc3c(NC(c4ccccc4)c4ccccc4)ncnc32)cc1
InChIInChI=1S/C24H18FN5/c25-19-11-13-20(14-12-19)30-24-21(15-28-30)23(26-16-27-24)29-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22H,(H,26,27,29)
InChIKeyHTODAHNPZDXRHL-UHFFFAOYSA-N
XLogP5.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Vactosertib
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PP121
CID 24905142
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 27557651) is N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Fc1ccc(-n2ncc3c(NC(c4ccccc4)c4ccccc4)ncnc32)cc1.
What is the InChIKey of N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HTODAHNPZDXRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5/c25-19-11-13-20(14-12-19)30-24-21(15-28-30)23(26-16-27-24)29-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22H,(H,26,27,29).
What are the key properties of N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 395.44 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 27557651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).