N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C16H23FN6O — CID 165433052

IUPACN-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(F)CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C16H23FN6O/c1-15(2,3)14(24)18-9-16(17)4-6-23(7-5-16)13-11-8-21-22-12(11)19-10-20-13/h8,10H,4-7,9H2,1-3H3,(H,18,24)(H,19,20,21,22)
InChIKeyXCHHOOVNMWYHCN-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.82
Rot. Bonds3

About N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165433052) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165433052
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC NameN-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(F)CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C16H23FN6O/c1-15(2,3)14(24)18-9-16(17)4-6-23(7-5-16)13-11-8-21-22-12(11)19-10-20-13/h8,10H,4-7,9H2,1-3H3,(H,18,24)(H,19,20,21,22)
InChIKeyXCHHOOVNMWYHCN-UHFFFAOYSA-N
XLogP1.82
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165433052) is N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1(F)CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is XCHHOOVNMWYHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-15(2,3)14(24)18-9-16(17)4-6-23(7-5-16)13-11-8-21-22-12(11)19-10-20-13/h8,10H,4-7,9H2,1-3H3,(H,18,24)(H,19,20,21,22).
What are the key properties of N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 334.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165433052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).