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

C20H27N5O — CID 168921720

IUPAC[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(CN)cc(N3CCOCC3)n2n1
InChIInChI=1S/C20H27N5O/c1-3-5-6-8-16(7-4-2)18-14-19-22-17(15-21)13-20(25(19)23-18)24-9-11-26-12-10-24/h4-8,13-14H,3,9-12,15,21H2,1-2H3/b6-5+,7-4-,16-8+
InChIKeyKNWHTLBTLZDSTO-ZLTBVZKBSA-N
MW353.47 g/mol
LogP2.95
Rot. Bonds6

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

[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine (PubChem CID 168921720) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine
PubChem CID168921720
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(CN)cc(N3CCOCC3)n2n1
InChIInChI=1S/C20H27N5O/c1-3-5-6-8-16(7-4-2)18-14-19-22-17(15-21)13-20(25(19)23-18)24-9-11-26-12-10-24/h4-8,13-14H,3,9-12,15,21H2,1-2H3/b6-5+,7-4-,16-8+
InChIKeyKNWHTLBTLZDSTO-ZLTBVZKBSA-N
XLogP2.95
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921751
4-[5-(nitromethyl)-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921714
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
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
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-(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
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
1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58530985
(2,7-dimorpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazine
CID 70999571
2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 67064608
7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115055006
1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081

Frequently Asked Questions

What is the IUPAC name of [7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine?
The IUPAC name of [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) is [7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine?
The canonical SMILES for [7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine is C/C=C\C(=C/C=C/CC)c1cc2nc(CN)cc(N3CCOCC3)n2n1.
What is the InChIKey of [7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine?
The InChIKey is KNWHTLBTLZDSTO-ZLTBVZKBSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-5-6-8-16(7-4-2)18-14-19-22-17(15-21)13-20(25(19)23-18)24-9-11-26-12-10-24/h4-8,13-14H,3,9-12,15,21H2,1-2H3/b6-5+,7-4-,16-8+.
What are the key properties of [7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine?
[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine has a molecular weight of 353.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 168921720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).