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

C28H39N7O — CID 168921700

IUPAC4-[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
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(N3C=CC(C4CCCNC4)N3C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C28H39N7O/c1-4-6-7-10-22(9-5-2)24-19-27-30-26(20-28(35(27)31-24)33-15-17-36-18-16-33)34-14-12-25(32(34)3)23-11-8-13-29-21-23/h5-7,9-10,12,14,19-20,23,25,29H,4,8,11,13,15-18,21H2,1-3H3/b7-6+,9-5-,22-10+
InChIKeyWXJBSTZUNMGZLJ-CHSXLJMPSA-N
MW489.67 g/mol
LogP4.04
Rot. Bonds7

About 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

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 (PubChem CID 168921700) has the molecular formula C28H39N7O and a molecular weight of 489.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID168921700
Molecular FormulaC28H39N7O
Molecular Weight489.67 g/mol
Exact Mass489.32
IUPAC Name4-[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
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(N3C=CC(C4CCCNC4)N3C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C28H39N7O/c1-4-6-7-10-22(9-5-2)24-19-27-30-26(20-28(35(27)31-24)33-15-17-36-18-16-33)34-14-12-25(32(34)3)23-11-8-13-29-21-23/h5-7,9-10,12,14,19-20,23,25,29H,4,8,11,13,15-18,21H2,1-3H3/b7-6+,9-5-,22-10+
InChIKeyWXJBSTZUNMGZLJ-CHSXLJMPSA-N
XLogP4.04
TPSA61.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.67
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921751
[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
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
N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165077
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
4-[2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-5-(4,5,6,7-tetrahydroindazol-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168922167
N-cyclopentyl-7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165038
6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
CID 142901875
5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165027

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\C(=C/C=C/CC)c1cc2nc(N3C=CC(C4CCCNC4)N3C)cc(N3CCOCC3)n2n1.
What is the InChIKey of 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?
The InChIKey is WXJBSTZUNMGZLJ-CHSXLJMPSA-N. The full InChI is InChI=1S/C28H39N7O/c1-4-6-7-10-22(9-5-2)24-19-27-30-26(20-28(35(27)31-24)33-15-17-36-18-16-33)34-14-12-25(32(34)3)23-11-8-13-29-21-23/h5-7,9-10,12,14,19-20,23,25,29H,4,8,11,13,15-18,21H2,1-3H3/b7-6+,9-5-,22-10+.
What are the key properties of 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?
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 has a molecular weight of 489.67 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168921700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).