6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one

C23H23N7O3 — CID 57331622

IUPAC6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one
SMILESO=C(Cc1ccc(-n2cnnn2)cn1)N1CCN(CCc2ccc3c(=O)occc3c2)CC1
InChIInChI=1S/C23H23N7O3/c31-22(14-19-2-3-20(15-24-19)30-16-25-26-27-30)29-10-8-28(9-11-29)7-5-17-1-4-21-18(13-17)6-12-33-23(21)32/h1-4,6,12-13,15-16H,5,7-11,14H2
InChIKeyJYRJZMGTRFYNCR-UHFFFAOYSA-N
MW445.48 g/mol
LogP1.09
Rot. Bonds6

About 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one

6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one (PubChem CID 57331622) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one.

Molecular Properties

Compound Name6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one
PubChem CID57331622
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one
SMILESO=C(Cc1ccc(-n2cnnn2)cn1)N1CCN(CCc2ccc3c(=O)occc3c2)CC1
InChIInChI=1S/C23H23N7O3/c31-22(14-19-2-3-20(15-24-19)30-16-25-26-27-30)29-10-8-28(9-11-29)7-5-17-1-4-21-18(13-17)6-12-33-23(21)32/h1-4,6,12-13,15-16H,5,7-11,14H2
InChIKeyJYRJZMGTRFYNCR-UHFFFAOYSA-N
XLogP1.09
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one with MolForge

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Related Compounds

1-[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethanone
CID 57331242
6-[2-[4-[5-(tetrazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]-1,4-diazepan-1-yl]ethyl]isochromen-1-one
CID 123416970
6-[2-[4-[3-[[4-(tetrazol-1-yl)phenyl]methyl]oxiran-2-yl]piperazin-1-yl]ethyl]isochromen-1-one
CID 123685764
4-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
CID 67518221
1-(4-propylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 39734467
3-methyl-6-[2-[4-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
CID 67515900
1-[4-[(E)-2-(2,1,3-benzoxadiazol-5-yl)ethenyl]piperazin-1-yl]-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethanone
CID 163473905
4-ethyl-5-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
CID 69087505
N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide
CID 55651949
2-[4-(tetrazol-1-yl)phenyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 78858538
2-methyl-7-[(E)-2-[1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidin-4-yl]ethenyl]-3,1-benzoxazin-4-one
CID 71516751
1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 119423814

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one?
The IUPAC name of 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one (CID 57331622) is 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one.
What is the SMILES notation for 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one?
The canonical SMILES for 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one is O=C(Cc1ccc(-n2cnnn2)cn1)N1CCN(CCc2ccc3c(=O)occc3c2)CC1.
What is the InChIKey of 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one?
The InChIKey is JYRJZMGTRFYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c31-22(14-19-2-3-20(15-24-19)30-16-25-26-27-30)29-10-8-28(9-11-29)7-5-17-1-4-21-18(13-17)6-12-33-23(21)32/h1-4,6,12-13,15-16H,5,7-11,14H2.
What are the key properties of 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one?
6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one has a molecular weight of 445.48 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]isochromen-1-one is sourced from PubChem (CID 57331622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).