4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C18H17FN6S — CID 42667993

IUPAC4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCn1nc2nc(NCCc3cccs3)nc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C18H17FN6S/c1-25-16(20)14-15(11-4-6-12(19)7-5-11)22-18(23-17(14)24-25)21-9-8-13-3-2-10-26-13/h2-7,10H,8-9,20H2,1H3,(H,21,23,24)
InChIKeyFZXKTBZXFYONCB-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.47
Rot. Bonds5

About 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42667993) has the molecular formula C18H17FN6S and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42667993
Molecular FormulaC18H17FN6S
Molecular Weight368.44 g/mol
Exact Mass368.12
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCn1nc2nc(NCCc3cccs3)nc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C18H17FN6S/c1-25-16(20)14-15(11-4-6-12(19)7-5-11)22-18(23-17(14)24-25)21-9-8-13-3-2-10-26-13/h2-7,10H,8-9,20H2,1H3,(H,21,23,24)
InChIKeyFZXKTBZXFYONCB-UHFFFAOYSA-N
XLogP3.47
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-4-(4-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807927
4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668863
2-tert-butyl-4-(4-chlorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668011
4-(3-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668934
2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668322
4-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenoxyethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668772
4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668546
2-(4-chlorophenyl)-4-(4-fluorophenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807941
4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
CID 51699968
4-(2-chlorophenyl)-2-methyl-6-N-(2-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807916
6-N-(cyclopropylmethyl)-4-(2-fluorophenyl)-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808241
3-(4-fluorophenyl)-6-N-(2-methoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 68772463

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42667993) is 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Cn1nc2nc(NCCc3cccs3)nc(-c3ccc(F)cc3)c2c1N.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is FZXKTBZXFYONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6S/c1-25-16(20)14-15(11-4-6-12(19)7-5-11)22-18(23-17(14)24-25)21-9-8-13-3-2-10-26-13/h2-7,10H,8-9,20H2,1H3,(H,21,23,24).
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 368.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42667993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).