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

C17H26N6O2 — CID 71225920

IUPAC2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCCOCC1
InChIInChI=1S/C17H26N6O2/c1-17(2,3)16(24)21-14-13-11-20-23(15(13)19-12-18-14)7-6-22-5-4-9-25-10-8-22/h11-12H,4-10H2,1-3H3,(H,18,19,21,24)
InChIKeySUOHXUFXGLHWDQ-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.53
Rot. Bonds4

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

2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (PubChem CID 71225920) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
PubChem CID71225920
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCCOCC1
InChIInChI=1S/C17H26N6O2/c1-17(2,3)16(24)21-14-13-11-20-23(15(13)19-12-18-14)7-6-22-5-4-9-25-10-8-22/h11-12H,4-10H2,1-3H3,(H,18,19,21,24)
InChIKeySUOHXUFXGLHWDQ-UHFFFAOYSA-N
XLogP1.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (CID 71225920) is 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCCOCC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The InChIKey is SUOHXUFXGLHWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-17(2,3)16(24)21-14-13-11-20-23(15(13)19-12-18-14)7-6-22-5-4-9-25-10-8-22/h11-12H,4-10H2,1-3H3,(H,18,19,21,24).
What are the key properties of 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide has a molecular weight of 346.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-(1,4-oxazepan-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 71225920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).