N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide

C16H21N5O2 — CID 67064670

IUPACN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide
SMILESC=CCCCC(=O)Nc1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C16H21N5O2/c1-2-3-4-5-15(22)19-13-12-16(20-8-10-23-11-9-20)21-14(18-13)6-7-17-21/h2,6-7,12H,1,3-5,8-11H2,(H,18,19,22)
InChIKeyLLIGESDIWPCIMY-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.86
Rot. Bonds6

About N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide

N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide (PubChem CID 67064670) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide.

Molecular Properties

Compound NameN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide
PubChem CID67064670
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide
SMILESC=CCCCC(=O)Nc1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C16H21N5O2/c1-2-3-4-5-15(22)19-13-12-16(20-8-10-23-11-9-20)21-14(18-13)6-7-17-21/h2,6-7,12H,1,3-5,8-11H2,(H,18,19,22)
InChIKeyLLIGESDIWPCIMY-UHFFFAOYSA-N
XLogP1.86
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide?
The IUPAC name of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide (CID 67064670) is N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide.
What is the SMILES notation for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide?
The canonical SMILES for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide is C=CCCCC(=O)Nc1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide?
The InChIKey is LLIGESDIWPCIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-3-4-5-15(22)19-13-12-16(20-8-10-23-11-9-20)21-14(18-13)6-7-17-21/h2,6-7,12H,1,3-5,8-11H2,(H,18,19,22).
What are the key properties of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide?
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide has a molecular weight of 315.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hex-5-enamide is sourced from PubChem (CID 67064670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).