N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C20H27N7O — CID 50795196

IUPACN-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCN1CCN(c2nc(Nc3cccc(OC)c3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C20H27N7O/c1-4-8-26-9-11-27(12-10-26)20-23-18(17-14-21-25(2)19(17)24-20)22-15-6-5-7-16(13-15)28-3/h5-7,13-14H,4,8-12H2,1-3H3,(H,22,23,24)
InChIKeyIDVSYUQDXYEHFZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.65
Rot. Bonds6

About N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 50795196) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID50795196
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC NameN-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCN1CCN(c2nc(Nc3cccc(OC)c3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C20H27N7O/c1-4-8-26-9-11-27(12-10-26)20-23-18(17-14-21-25(2)19(17)24-20)22-15-6-5-7-16(13-15)28-3/h5-7,13-14H,4,8-12H2,1-3H3,(H,22,23,24)
InChIKeyIDVSYUQDXYEHFZ-UHFFFAOYSA-N
XLogP2.65
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795201
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795108
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 43845722
N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 46940706
6-N-(2-methoxyethyl)-4-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50758354
1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795404
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795273
1-methyl-N-phenyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 46345343
1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795322
N-[(2-methoxyphenyl)methyl]-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 146059648
2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
CID 50795417
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 50795196) is N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCN1CCN(c2nc(Nc3cccc(OC)c3)c3cnn(C)c3n2)CC1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IDVSYUQDXYEHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-4-8-26-9-11-27(12-10-26)20-23-18(17-14-21-25(2)19(17)24-20)22-15-6-5-7-16(13-15)28-3/h5-7,13-14H,4,8-12H2,1-3H3,(H,22,23,24).
What are the key properties of N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 50795196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).