[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

C23H20N10O2 — CID 73441897

IUPAC[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C23H20N10O2/c34-22(31-11-13-32(14-12-31)23(35)18-9-10-24-27-18)15-5-7-16(8-6-15)25-20-21-28-29-30-33(21)19-4-2-1-3-17(19)26-20/h1-10H,11-14H2,(H,24,27)(H,25,26)
InChIKeyWMAPEFUXYDYFJE-UHFFFAOYSA-N
MW468.48 g/mol
LogP1.74
Rot. Bonds4

About [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 73441897) has the molecular formula C23H20N10O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID73441897
Molecular FormulaC23H20N10O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C23H20N10O2/c34-22(31-11-13-32(14-12-31)23(35)18-9-10-24-27-18)15-5-7-16(8-6-15)25-20-21-28-29-30-33(21)19-4-2-1-3-17(19)26-20/h1-10H,11-14H2,(H,24,27)(H,25,26)
InChIKeyWMAPEFUXYDYFJE-UHFFFAOYSA-N
XLogP1.74
TPSA137.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (CID 73441897) is [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is WMAPEFUXYDYFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N10O2/c34-22(31-11-13-32(14-12-31)23(35)18-9-10-24-27-18)15-5-7-16(8-6-15)25-20-21-28-29-30-33(21)19-4-2-1-3-17(19)26-20/h1-10H,11-14H2,(H,24,27)(H,25,26).
What are the key properties of [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 468.48 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 73441897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).