(4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

C24H21N9O — CID 73442173

IUPAC(4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C24H21N9O/c34-24(32-14-12-31(13-15-32)19-4-3-11-25-16-19)17-7-9-18(10-8-17)26-22-23-28-29-30-33(23)21-6-2-1-5-20(21)27-22/h1-11,16H,12-15H2,(H,26,27)
InChIKeyARWZMXSVUCOHTL-UHFFFAOYSA-N
MW451.49 g/mol
LogP2.77
Rot. Bonds4

About (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

(4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 73442173) has the molecular formula C24H21N9O and a molecular weight of 451.49 g/mol. Its IUPAC name is (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID73442173
Molecular FormulaC24H21N9O
Molecular Weight451.49 g/mol
Exact Mass451.19
IUPAC Name(4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C24H21N9O/c34-24(32-14-12-31(13-15-32)19-4-3-11-25-16-19)17-7-9-18(10-8-17)26-22-23-28-29-30-33(23)21-6-2-1-5-20(21)27-22/h1-11,16H,12-15H2,(H,26,27)
InChIKeyARWZMXSVUCOHTL-UHFFFAOYSA-N
XLogP2.77
TPSA104.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (CID 73442173) is (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(c2cccnc2)CC1.
What is the InChIKey of (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is ARWZMXSVUCOHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9O/c34-24(32-14-12-31(13-15-32)19-4-3-11-25-16-19)17-7-9-18(10-8-17)26-22-23-28-29-30-33(23)21-6-2-1-5-20(21)27-22/h1-11,16H,12-15H2,(H,26,27).
What are the key properties of (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
(4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 451.49 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 73442173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).