[(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C16H22N4O — CID 164631930

IUPAC[(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCC[C@@]1(C)CCCN(C(=O)c2cn3nccc3nc2C)C1
InChIInChI=1S/C16H22N4O/c1-4-16(3)7-5-9-19(11-16)15(21)13-10-20-14(6-8-17-20)18-12(13)2/h6,8,10H,4-5,7,9,11H2,1-3H3/t16-/m0/s1
InChIKeyWNFWSXRVRTWAIK-INIZCTEOSA-N
MW286.38 g/mol
LogP2.69
Rot. Bonds2

About [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

[(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 164631930) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID164631930
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCC[C@@]1(C)CCCN(C(=O)c2cn3nccc3nc2C)C1
InChIInChI=1S/C16H22N4O/c1-4-16(3)7-5-9-19(11-16)15(21)13-10-20-14(6-8-17-20)18-12(13)2/h6,8,10H,4-5,7,9,11H2,1-3H3/t16-/m0/s1
InChIKeyWNFWSXRVRTWAIK-INIZCTEOSA-N
XLogP2.69
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 164631930) is [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is CC[C@@]1(C)CCCN(C(=O)c2cn3nccc3nc2C)C1.
What is the InChIKey of [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is WNFWSXRVRTWAIK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-16(3)7-5-9-19(11-16)15(21)13-10-20-14(6-8-17-20)18-12(13)2/h6,8,10H,4-5,7,9,11H2,1-3H3/t16-/m0/s1.
What are the key properties of [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 164631930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).