3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one

C25H25N5O — CID 118450467

IUPAC3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CCN(c2cnccc2-c2ccccc2)CC1
InChIInChI=1S/C25H25N5O/c31-25(11-13-30-23-9-5-4-8-21(23)18-27-30)29-16-14-28(15-17-29)24-19-26-12-10-22(24)20-6-2-1-3-7-20/h1-10,12,18-19H,11,13-17H2
InChIKeyOENMTYNNCJDMSZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.84
Rot. Bonds5

About 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one

3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one (PubChem CID 118450467) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one
PubChem CID118450467
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CCN(c2cnccc2-c2ccccc2)CC1
InChIInChI=1S/C25H25N5O/c31-25(11-13-30-23-9-5-4-8-21(23)18-27-30)29-16-14-28(15-17-29)24-19-26-12-10-22(24)20-6-2-1-3-7-20/h1-10,12,18-19H,11,13-17H2
InChIKeyOENMTYNNCJDMSZ-UHFFFAOYSA-N
XLogP3.84
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one (CID 118450467) is 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one is O=C(CCn1ncc2ccccc21)N1CCN(c2cnccc2-c2ccccc2)CC1.
What is the InChIKey of 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one?
The InChIKey is OENMTYNNCJDMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-25(11-13-30-23-9-5-4-8-21(23)18-27-30)29-16-14-28(15-17-29)24-19-26-12-10-22(24)20-6-2-1-3-7-20/h1-10,12,18-19H,11,13-17H2.
What are the key properties of 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one?
3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one has a molecular weight of 411.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 118450467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).