2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine

C22H21FN6 — CID 42668786

IUPAC2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3cccc(F)c3)nc(N3CCCC3)nc2nn1Cc1ccccc1
InChIInChI=1S/C22H21FN6/c23-17-10-6-9-16(13-17)19-18-20(24)29(14-15-7-2-1-3-8-15)27-21(18)26-22(25-19)28-11-4-5-12-28/h1-3,6-10,13H,4-5,11-12,14,24H2
InChIKeyCORBNQJTSLOJEP-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.86
Rot. Bonds4

About 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine

2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42668786) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42668786
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3cccc(F)c3)nc(N3CCCC3)nc2nn1Cc1ccccc1
InChIInChI=1S/C22H21FN6/c23-17-10-6-9-16(13-17)19-18-20(24)29(14-15-7-2-1-3-8-15)27-21(18)26-22(25-19)28-11-4-5-12-28/h1-3,6-10,13H,4-5,11-12,14,24H2
InChIKeyCORBNQJTSLOJEP-UHFFFAOYSA-N
XLogP3.86
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
(R)-Zinc-3573
CID 95882507
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
3MB-PP1
CID 24865390
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CID 4877
1-(1,1-Dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 5154691
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42668786) is 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is Nc1c2c(-c3cccc(F)c3)nc(N3CCCC3)nc2nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is CORBNQJTSLOJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c23-17-10-6-9-16(13-17)19-18-20(24)29(14-15-7-2-1-3-8-15)27-21(18)26-22(25-19)28-11-4-5-12-28/h1-3,6-10,13H,4-5,11-12,14,24H2.
What are the key properties of 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 388.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42668786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).