6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C26H31N7O — CID 146188081

IUPAC6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC[C@@H](Oc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1)c1ccncc1
InChIInChI=1S/C26H31N7O/c1-2-5-23(21-10-12-28-13-11-21)34-26-30-24(27)22-16-29-33(25(22)31-26)18-20-8-6-19(7-9-20)17-32-14-3-4-15-32/h6-13,16,23H,2-5,14-15,17-18H2,1H3,(H2,27,30,31)/t23-/m1/s1
InChIKeyPQLHQXURMWOQLL-HSZRJFAPSA-N
MW457.58 g/mol
LogP4.37
Rot. Bonds9

About 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146188081) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146188081
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC[C@@H](Oc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1)c1ccncc1
InChIInChI=1S/C26H31N7O/c1-2-5-23(21-10-12-28-13-11-21)34-26-30-24(27)22-16-29-33(25(22)31-26)18-20-8-6-19(7-9-20)17-32-14-3-4-15-32/h6-13,16,23H,2-5,14-15,17-18H2,1H3,(H2,27,30,31)/t23-/m1/s1
InChIKeyPQLHQXURMWOQLL-HSZRJFAPSA-N
XLogP4.37
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-[1-(1,3-thiazol-5-yl)butoxy]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146174239
6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146188039
6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134561023
6-[(3R)-1-methoxyhexan-3-yl]oxy-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146171807
6-(pyridin-4-ylmethoxy)-1-(7-pyrrolidin-1-ylheptyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 146174212
6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146171834
[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-yl] carbamate
CID 175111264
2-amino-N-[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 147544626
(3R)-3-[4-amino-6-bromo-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]oxyhexan-1-ol
CID 146187762
decyl N-[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]carbamate
CID 147420907
4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 146187717
1-(3-bromopropyl)-6-(pyridin-4-ylmethoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 153351961

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 146188081) is 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CCC[C@@H](Oc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1)c1ccncc1.
What is the InChIKey of 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PQLHQXURMWOQLL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31N7O/c1-2-5-23(21-10-12-28-13-11-21)34-26-30-24(27)22-16-29-33(25(22)31-26)18-20-8-6-19(7-9-20)17-32-14-3-4-15-32/h6-13,16,23H,2-5,14-15,17-18H2,1H3,(H2,27,30,31)/t23-/m1/s1.
What are the key properties of 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 457.58 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146188081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).