6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C23H22Cl2N6O — CID 56689606

IUPAC6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2nc(-c3c(Cl)cccc3Cl)nc3c2cnn3C)CC1
InChIInChI=1S/C23H22Cl2N6O/c1-29-22-15(14-26-29)23(28-21(27-22)20-16(24)6-5-7-17(20)25)31-12-10-30(11-13-31)18-8-3-4-9-19(18)32-2/h3-9,14H,10-13H2,1-2H3
InChIKeyJUEIOVXUVXVYLK-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.67
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 56689606) has the molecular formula C23H22Cl2N6O and a molecular weight of 469.38 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID56689606
Molecular FormulaC23H22Cl2N6O
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2nc(-c3c(Cl)cccc3Cl)nc3c2cnn3C)CC1
InChIInChI=1S/C23H22Cl2N6O/c1-29-22-15(14-26-29)23(28-21(27-22)20-16(24)6-5-7-17(20)25)31-12-10-30(11-13-31)18-8-3-4-9-19(18)32-2/h3-9,14H,10-13H2,1-2H3
InChIKeyJUEIOVXUVXVYLK-UHFFFAOYSA-N
XLogP4.67
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7162577
2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 56883146
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 8547962
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526
6-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679351
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-cyclopentyl-4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123979175
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 94948965
3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole
CID 151096655

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 56689606) is 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is COc1ccccc1N1CCN(c2nc(-c3c(Cl)cccc3Cl)nc3c2cnn3C)CC1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is JUEIOVXUVXVYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O/c1-29-22-15(14-26-29)23(28-21(27-22)20-16(24)6-5-7-17(20)25)31-12-10-30(11-13-31)18-8-3-4-9-19(18)32-2/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 469.38 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56689606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).