6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C19H27N7 — CID 70759098

IUPAC6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cn1cncc1CNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C19H27N7/c1-13(2)11-26-12-20-8-15(26)9-21-18-16-10-22-25(3)19(16)24-17(23-18)14-6-4-5-7-14/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,21,23,24)
InChIKeyWMVONYHAPSAYPY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.49
Rot. Bonds6

About 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70759098) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70759098
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cn1cncc1CNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C19H27N7/c1-13(2)11-26-12-20-8-15(26)9-21-18-16-10-22-25(3)19(16)24-17(23-18)14-6-4-5-7-14/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,21,23,24)
InChIKeyWMVONYHAPSAYPY-UHFFFAOYSA-N
XLogP3.49
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 70759098) is 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Cn1cncc1CNc1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WMVONYHAPSAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-13(2)11-26-12-20-8-15(26)9-21-18-16-10-22-25(3)19(16)24-17(23-18)14-6-4-5-7-14/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,21,23,24).
What are the key properties of 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70759098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).