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

C23H25N7O — CID 146188039

IUPAC6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(OCc2ccncc2)nc2c1cnn2Cc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H25N7O/c24-21-20-13-26-30(15-18-5-3-17(4-6-18)14-29-11-1-2-12-29)22(20)28-23(27-21)31-16-19-7-9-25-10-8-19/h3-10,13H,1-2,11-12,14-16H2,(H2,24,27,28)
InChIKeyHFWGWURXYZLHPJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.03
Rot. Bonds7

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

6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146188039) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146188039
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(OCc2ccncc2)nc2c1cnn2Cc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H25N7O/c24-21-20-13-26-30(15-18-5-3-17(4-6-18)14-29-11-1-2-12-29)22(20)28-23(27-21)31-16-19-7-9-25-10-8-19/h3-10,13H,1-2,11-12,14-16H2,(H2,24,27,28)
InChIKeyHFWGWURXYZLHPJ-UHFFFAOYSA-N
XLogP3.03
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134561023
6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146188081
1-(3-bromopropyl)-6-(pyridin-4-ylmethoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 153351961
1-benzyl-6-[(2-chloro-4-pyridinyl)methoxy]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146187740
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-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-yl] carbamate
CID 175111264
6-bromo-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrrolo[2,3-d]pyrimidin-4-amine
CID 146188076
2-amino-N-[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 147544626
decyl N-[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]carbamate
CID 147420907
6-[(3R)-1-methoxyhexan-3-yl]oxy-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146171807

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 146188039) is 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(OCc2ccncc2)nc2c1cnn2Cc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HFWGWURXYZLHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c24-21-20-13-26-30(15-18-5-3-17(4-6-18)14-29-11-1-2-12-29)22(20)28-23(27-21)31-16-19-7-9-25-10-8-19/h3-10,13H,1-2,11-12,14-16H2,(H2,24,27,28).
What are the key properties of 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 415.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146188039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).