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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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).