4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C20H26N4O — CID 168921751

IUPAC4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C20H26N4O/c1-4-6-7-9-17(8-5-2)18-15-19-21-16(3)14-20(24(19)22-18)23-10-12-25-13-11-23/h5-9,14-15H,4,10-13H2,1-3H3/b7-6+,8-5-,17-9+
InChIKeyAPSCAXJZWBTPCT-MSOYJSDNSA-N
MW338.46 g/mol
LogP3.80
Rot. Bonds5

About 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168921751) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168921751
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C20H26N4O/c1-4-6-7-9-17(8-5-2)18-15-19-21-16(3)14-20(24(19)22-18)23-10-12-25-13-11-23/h5-9,14-15H,4,10-13H2,1-3H3/b7-6+,8-5-,17-9+
InChIKeyAPSCAXJZWBTPCT-MSOYJSDNSA-N
XLogP3.80
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane
CID 168921770
[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine
CID 168921720
4-[5-(nitromethyl)-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921714
N-methyl-1-(3-methylphenyl)-2-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]oxyethanamine
CID 168921979
4-[5-(3-nonan-3-ylpyrazol-1-yl)-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921937
4-[5-(2-methyl-3-piperidin-3-yl-3H-pyrazol-1-yl)-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921700
2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 67064608
4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-(4-phenyl-1,3-oxazol-2-yl)furo[3,2-d]pyrimidin-2-amine
CID 166164854
N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165086
4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53202358
7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115055006
(2,7-dimorpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazine
CID 70999571

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168921751) is 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is C/C=C\C(=C/C=C/CC)c1cc2nc(C)cc(N3CCOCC3)n2n1.
What is the InChIKey of 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is APSCAXJZWBTPCT-MSOYJSDNSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-6-7-9-17(8-5-2)18-15-19-21-16(3)14-20(24(19)22-18)23-10-12-25-13-11-23/h5-9,14-15H,4,10-13H2,1-3H3/b7-6+,8-5-,17-9+.
What are the key properties of 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 338.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168921751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).