6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C24H18F2N6 — CID 42807953

IUPAC6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3ccc(F)cc3)nc(NCc3ccccc3)nc2nn1-c1ccc(F)cc1
InChIInChI=1S/C24H18F2N6/c25-17-8-6-16(7-9-17)21-20-22(27)32(19-12-10-18(26)11-13-19)31-23(20)30-24(29-21)28-14-15-4-2-1-3-5-15/h1-13H,14,27H2,(H,28,30,31)
InChIKeyPZVPOZOPAABMQC-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.95
Rot. Bonds5

About 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42807953) has the molecular formula C24H18F2N6 and a molecular weight of 428.45 g/mol. Its IUPAC name is 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42807953
Molecular FormulaC24H18F2N6
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3ccc(F)cc3)nc(NCc3ccccc3)nc2nn1-c1ccc(F)cc1
InChIInChI=1S/C24H18F2N6/c25-17-8-6-16(7-9-17)21-20-22(27)32(19-12-10-18(26)11-13-19)31-23(20)30-24(29-21)28-14-15-4-2-1-3-5-15/h1-13H,14,27H2,(H,28,30,31)
InChIKeyPZVPOZOPAABMQC-UHFFFAOYSA-N
XLogP4.95
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-benzyl-4-(2,4-difluorophenyl)-2-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808298
4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668860
2-(4-chlorophenyl)-4-(4-fluorophenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807941
2,4-bis(4-fluorophenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93128140
2-tert-butyl-6-N-[(3-fluorophenyl)methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667649
6-N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-2-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807989
4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667746
6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667834
4-(2-chlorophenyl)-6-N-(cyclopropylmethyl)-2-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667787
4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-N-(2-phenoxyethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667788
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667600
4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668863

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42807953) is 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Nc1c2c(-c3ccc(F)cc3)nc(NCc3ccccc3)nc2nn1-c1ccc(F)cc1.
What is the InChIKey of 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is PZVPOZOPAABMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6/c25-17-8-6-16(7-9-17)21-20-22(27)32(19-12-10-18(26)11-13-19)31-23(20)30-24(29-21)28-14-15-4-2-1-3-5-15/h1-13H,14,27H2,(H,28,30,31).
What are the key properties of 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 428.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42807953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).