2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C24H24ClF2N7 — CID 42808421

IUPAC2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3cccc(F)c3F)nc(NCCN3CCCCC3)nc2nn1-c1ccccc1Cl
InChIInChI=1S/C24H24ClF2N7/c25-16-8-2-3-10-18(16)34-22(28)19-21(15-7-6-9-17(26)20(15)27)30-24(31-23(19)32-34)29-11-14-33-12-4-1-5-13-33/h2-3,6-10H,1,4-5,11-14,28H2,(H,29,31,32)
InChIKeyWKJPGFUEELLDGJ-UHFFFAOYSA-N
MW483.95 g/mol
LogP4.89
Rot. Bonds6

About 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42808421) has the molecular formula C24H24ClF2N7 and a molecular weight of 483.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42808421
Molecular FormulaC24H24ClF2N7
Molecular Weight483.95 g/mol
Exact Mass483.17
IUPAC Name2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3cccc(F)c3F)nc(NCCN3CCCCC3)nc2nn1-c1ccccc1Cl
InChIInChI=1S/C24H24ClF2N7/c25-16-8-2-3-10-18(16)34-22(28)19-21(15-7-6-9-17(26)20(15)27)30-24(31-23(19)32-34)29-11-14-33-12-4-1-5-13-33/h2-3,6-10H,1,4-5,11-14,28H2,(H,29,31,32)
InChIKeyWKJPGFUEELLDGJ-UHFFFAOYSA-N
XLogP4.89
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669410
2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808419
4-(2,3-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669189
4-(2,4-difluorophenyl)-2-(3-fluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808305
4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668656
2-(4-chlorophenyl)-4-(4-fluorophenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807941
4-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667519
4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668546
2-(2,4-dichlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807899
2-benzyl-4-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668016
4-(2,3-difluorophenyl)-6-N-(2-methoxyethyl)-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669292
4-(2,3-difluorophenyl)-6-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669231

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42808421) is 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Nc1c2c(-c3cccc(F)c3F)nc(NCCN3CCCCC3)nc2nn1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is WKJPGFUEELLDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N7/c25-16-8-2-3-10-18(16)34-22(28)19-21(15-7-6-9-17(26)20(15)27)30-24(31-23(19)32-34)29-11-14-33-12-4-1-5-13-33/h2-3,6-10H,1,4-5,11-14,28H2,(H,29,31,32).
What are the key properties of 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 483.95 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42808421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).