N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine

C17H27N7 — CID 71226177

IUPACN-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCNC1CCN(c2ncnc3c2cnn3CCN2CCCCC2)C1
InChIInChI=1S/C17H27N7/c1-18-14-5-8-23(12-14)16-15-11-21-24(17(15)20-13-19-16)10-9-22-6-3-2-4-7-22/h11,13-14,18H,2-10,12H2,1H3
InChIKeyNNUAZXFKWVVVLZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.11
Rot. Bonds5

About N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine

N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 71226177) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID71226177
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC NameN-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCNC1CCN(c2ncnc3c2cnn3CCN2CCCCC2)C1
InChIInChI=1S/C17H27N7/c1-18-14-5-8-23(12-14)16-15-11-21-24(17(15)20-13-19-16)10-9-22-6-3-2-4-7-22/h11,13-14,18H,2-10,12H2,1H3
InChIKeyNNUAZXFKWVVVLZ-UHFFFAOYSA-N
XLogP1.11
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine (CID 71226177) is N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine is CNC1CCN(c2ncnc3c2cnn3CCN2CCCCC2)C1.
What is the InChIKey of N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is NNUAZXFKWVVVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-18-14-5-8-23(12-14)16-15-11-21-24(17(15)20-13-19-16)10-9-22-6-3-2-4-7-22/h11,13-14,18H,2-10,12H2,1H3.
What are the key properties of N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine?
N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 329.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 71226177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).