N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide

C15H24N6O — CID 56886040

IUPACN-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide
SMILESCCCC(Nc1nc(C(C)C)nc2c1cnn2C)C(=O)NC
InChIInChI=1S/C15H24N6O/c1-6-7-11(15(22)16-4)18-13-10-8-17-21(5)14(10)20-12(19-13)9(2)3/h8-9,11H,6-7H2,1-5H3,(H,16,22)(H,18,19,20)
InChIKeyJWLJSFBETJYGHV-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.81
Rot. Bonds6

About N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide

N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide (PubChem CID 56886040) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound NameN-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide
PubChem CID56886040
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide
SMILESCCCC(Nc1nc(C(C)C)nc2c1cnn2C)C(=O)NC
InChIInChI=1S/C15H24N6O/c1-6-7-11(15(22)16-4)18-13-10-8-17-21(5)14(10)20-12(19-13)9(2)3/h8-9,11H,6-7H2,1-5H3,(H,16,22)(H,18,19,20)
InChIKeyJWLJSFBETJYGHV-UHFFFAOYSA-N
XLogP1.81
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide?
The IUPAC name of N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide (CID 56886040) is N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide is CCCC(Nc1nc(C(C)C)nc2c1cnn2C)C(=O)NC.
What is the InChIKey of N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide?
The InChIKey is JWLJSFBETJYGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-6-7-11(15(22)16-4)18-13-10-8-17-21(5)14(10)20-12(19-13)9(2)3/h8-9,11H,6-7H2,1-5H3,(H,16,22)(H,18,19,20).
What are the key properties of N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide?
N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide has a molecular weight of 304.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 56886040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).