5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one

C26H25N3O2 — CID 149121775

IUPAC5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESNCC1=C(c2ccc(O)cc2)C(=O)n2nc(-c3ccccc3)c(C3=CCCCC3)c2C1
InChIInChI=1S/C26H25N3O2/c27-16-20-15-22-24(17-7-3-1-4-8-17)25(19-9-5-2-6-10-19)28-29(22)26(31)23(20)18-11-13-21(30)14-12-18/h2,5-7,9-14,30H,1,3-4,8,15-16,27H2
InChIKeyQZQWVGSIWSHBLQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.82
Rot. Bonds4

About 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one

5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 149121775) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID149121775
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESNCC1=C(c2ccc(O)cc2)C(=O)n2nc(-c3ccccc3)c(C3=CCCCC3)c2C1
InChIInChI=1S/C26H25N3O2/c27-16-20-15-22-24(17-7-3-1-4-8-17)25(19-9-5-2-6-10-19)28-29(22)26(31)23(20)18-11-13-21(30)14-12-18/h2,5-7,9-14,30H,1,3-4,8,15-16,27H2
InChIKeyQZQWVGSIWSHBLQ-UHFFFAOYSA-N
XLogP4.82
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 149121775) is 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one is NCC1=C(c2ccc(O)cc2)C(=O)n2nc(-c3ccccc3)c(C3=CCCCC3)c2C1.
What is the InChIKey of 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is QZQWVGSIWSHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c27-16-20-15-22-24(17-7-3-1-4-8-17)25(19-9-5-2-6-10-19)28-29(22)26(31)23(20)18-11-13-21(30)14-12-18/h2,5-7,9-14,30H,1,3-4,8,15-16,27H2.
What are the key properties of 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 411.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 149121775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).