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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Related Compounds

CID 134796146
CID 134796146
CID 134796284
CID 134796284
CID 134797230
CID 134797230
CID 134797512
CID 134797512
CID 134797885
CID 134797885
CID 134798454
CID 134798454
CID 134799014
CID 134799014
CID 134799874
CID 134799874
CID 134800039
CID 134800039
CID 44251234
CID 44251234
CID 115372343
CID 115372343
CID 44251098
CID 44251098

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).