1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H20N6 — CID 56944275

IUPAC1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)n1
InChIInChI=1S/C17H20N6/c1-11-5-4-6-12(21-11)9-14-15-16(18)19-10-20-17(15)23(22-14)13-7-2-3-8-13/h4-6,10,13H,2-3,7-9H2,1H3,(H2,18,19,20)
InChIKeyRGEFNJLCSUPPTA-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.82
Rot. Bonds3

About 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56944275) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56944275
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)n1
InChIInChI=1S/C17H20N6/c1-11-5-4-6-12(21-11)9-14-15-16(18)19-10-20-17(15)23(22-14)13-7-2-3-8-13/h4-6,10,13H,2-3,7-9H2,1H3,(H2,18,19,20)
InChIKeyRGEFNJLCSUPPTA-UHFFFAOYSA-N
XLogP2.82
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123186043
1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 56944277
1-[3-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 135219177
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 158180333
3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 142531525
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 142531520
(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
CID 56944373
3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol
CID 118026024
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56944275) is 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)n1.
What is the InChIKey of 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RGEFNJLCSUPPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-5-4-6-12(21-11)9-14-15-16(18)19-10-20-17(15)23(22-14)13-7-2-3-8-13/h4-6,10,13H,2-3,7-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56944275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).