phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C24H23N5O — CID 118674540

IUPACphenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESO=C(c1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C24H23N5O/c30-24(16-4-2-1-3-5-16)29-21-7-9-23(29)19(11-21)15-28-22-8-6-17(10-18(22)14-27-28)20-12-25-26-13-20/h1-6,8,10,12-14,19,21,23H,7,9,11,15H2,(H,25,26)
InChIKeyHJFQMMOSXVTZCG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.12
Rot. Bonds4

About phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 118674540) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID118674540
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Namephenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESO=C(c1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C24H23N5O/c30-24(16-4-2-1-3-5-16)29-21-7-9-23(29)19(11-21)15-28-22-8-6-17(10-18(22)14-27-28)20-12-25-26-13-20/h1-6,8,10,12-14,19,21,23H,7,9,11,15H2,(H,25,26)
InChIKeyHJFQMMOSXVTZCG-UHFFFAOYSA-N
XLogP4.12
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 118674540) is phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is O=C(c1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.
What is the InChIKey of phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is HJFQMMOSXVTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(16-4-2-1-3-5-16)29-21-7-9-23(29)19(11-21)15-28-22-8-6-17(10-18(22)14-27-28)20-12-25-26-13-20/h1-6,8,10,12-14,19,21,23H,7,9,11,15H2,(H,25,26).
What are the key properties of phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 118674540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).