2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C23H17Cl2N7 — CID 42668623

IUPAC2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3cccc(Cl)c3)nc(NCc3ccccn3)nc2nn1-c1ccccc1Cl
InChIInChI=1S/C23H17Cl2N7/c24-15-7-5-6-14(12-15)20-19-21(26)32(18-10-2-1-9-17(18)25)31-22(19)30-23(29-20)28-13-16-8-3-4-11-27-16/h1-12H,13,26H2,(H,28,30,31)
InChIKeyWOUBGNIFPYRCNW-UHFFFAOYSA-N
MW462.34 g/mol
LogP5.38
Rot. Bonds5

About 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42668623) has the molecular formula C23H17Cl2N7 and a molecular weight of 462.34 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42668623
Molecular FormulaC23H17Cl2N7
Molecular Weight462.34 g/mol
Exact Mass461.09
IUPAC Name2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3cccc(Cl)c3)nc(NCc3ccccn3)nc2nn1-c1ccccc1Cl
InChIInChI=1S/C23H17Cl2N7/c24-15-7-5-6-14(12-15)20-19-21(26)32(18-10-2-1-9-17(18)25)31-22(19)30-23(29-20)28-13-16-8-3-4-11-27-16/h1-12H,13,26H2,(H,28,30,31)
InChIKeyWOUBGNIFPYRCNW-UHFFFAOYSA-N
XLogP5.38
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.34
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Amdizalisib
CID 118981804
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
CID 44629555
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-N-(3-chlorophenyl)-3-N-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327836
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 6326418
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Arylpyrazole, 20
CID 44143420

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42668623) is 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Nc1c2c(-c3cccc(Cl)c3)nc(NCc3ccccn3)nc2nn1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is WOUBGNIFPYRCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N7/c24-15-7-5-6-14(12-15)20-19-21(26)32(18-10-2-1-9-17(18)25)31-22(19)30-23(29-20)28-13-16-8-3-4-11-27-16/h1-12H,13,26H2,(H,28,30,31).
What are the key properties of 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 462.34 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42668623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).