[4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

C24H20N10O2 — CID 73442292

IUPAC[4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(C(=O)c2ncccn2)CC1
InChIInChI=1S/C24H20N10O2/c35-23(32-12-14-33(15-13-32)24(36)21-25-10-3-11-26-21)16-6-8-17(9-7-16)27-20-22-29-30-31-34(22)19-5-2-1-4-18(19)28-20/h1-11H,12-15H2,(H,27,28)
InChIKeyLJJWIAJNQUBHRY-UHFFFAOYSA-N
MW480.49 g/mol
LogP1.80
Rot. Bonds4

About [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

[4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 73442292) has the molecular formula C24H20N10O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID73442292
Molecular FormulaC24H20N10O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name[4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(C(=O)c2ncccn2)CC1
InChIInChI=1S/C24H20N10O2/c35-23(32-12-14-33(15-13-32)24(36)21-25-10-3-11-26-21)16-6-8-17(9-7-16)27-20-22-29-30-31-34(22)19-5-2-1-4-18(19)28-20/h1-11H,12-15H2,(H,27,28)
InChIKeyLJJWIAJNQUBHRY-UHFFFAOYSA-N
XLogP1.80
TPSA134.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (CID 73442292) is [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(C(=O)c2ncccn2)CC1.
What is the InChIKey of [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is LJJWIAJNQUBHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N10O2/c35-23(32-12-14-33(15-13-32)24(36)21-25-10-3-11-26-21)16-6-8-17(9-7-16)27-20-22-29-30-31-34(22)19-5-2-1-4-18(19)28-20/h1-11H,12-15H2,(H,27,28).
What are the key properties of [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
[4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 480.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 73442292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).