N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H22N6O2 — CID 46940706

IUPACN-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(N3CCCC3)nc3c2cnn3C)cc(OC)c1
InChIInChI=1S/C18H22N6O2/c1-23-17-15(11-19-23)16(21-18(22-17)24-6-4-5-7-24)20-12-8-13(25-2)10-14(9-12)26-3/h8-11H,4-7H2,1-3H3,(H,20,21,22)
InChIKeyAZRPWFLBDCSLGV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.72
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 46940706) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID46940706
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(N3CCCC3)nc3c2cnn3C)cc(OC)c1
InChIInChI=1S/C18H22N6O2/c1-23-17-15(11-19-23)16(21-18(22-17)24-6-4-5-7-24)20-12-8-13(25-2)10-14(9-12)26-3/h8-11H,4-7H2,1-3H3,(H,20,21,22)
InChIKeyAZRPWFLBDCSLGV-UHFFFAOYSA-N
XLogP2.72
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795108
N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 50795196
6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795201
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795273
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 43845722
N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016765
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315
1-methyl-N-phenyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 46345343
N-(3-chloro-4-methoxyphenyl)-6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27602542
N-[(2-chlorophenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795113
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
N-[(2-methoxyphenyl)methyl]-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 146059648

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 46940706) is N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(Nc2nc(N3CCCC3)nc3c2cnn3C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AZRPWFLBDCSLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23-17-15(11-19-23)16(21-18(22-17)24-6-4-5-7-24)20-12-8-13(25-2)10-14(9-12)26-3/h8-11H,4-7H2,1-3H3,(H,20,21,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46940706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).