2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide

C18H28N6O — CID 71225577

IUPAC2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCN1CCCCC1
InChIInChI=1S/C18H28N6O/c1-18(2,3)17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-7-10-23-8-5-4-6-9-23/h12-13H,4-11H2,1-3H3,(H,19,20,22,25)
InChIKeyHGCHNGSKVPCVCW-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.69
Rot. Bonds5

About 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide

2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (PubChem CID 71225577) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
PubChem CID71225577
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCN1CCCCC1
InChIInChI=1S/C18H28N6O/c1-18(2,3)17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-7-10-23-8-5-4-6-9-23/h12-13H,4-11H2,1-3H3,(H,19,20,22,25)
InChIKeyHGCHNGSKVPCVCW-UHFFFAOYSA-N
XLogP2.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (CID 71225577) is 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCN1CCCCC1.
What is the InChIKey of 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The InChIKey is HGCHNGSKVPCVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-18(2,3)17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-7-10-23-8-5-4-6-9-23/h12-13H,4-11H2,1-3H3,(H,19,20,22,25).
What are the key properties of 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 71225577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).