spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone

C23H21N7O — CID 16672195

IUPACspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C23H21N7O/c31-22(17-5-3-6-18(15-17)30-16-24-26-27-30)28-13-10-23(11-14-28)21-9-4-12-29(21)20-8-2-1-7-19(20)25-23/h1-9,12,15-16,25H,10-11,13-14H2
InChIKeyBJRYQOMSFZGJDW-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.01
Rot. Bonds2

About spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone

spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 16672195) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Namespiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID16672195
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Namespiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C23H21N7O/c31-22(17-5-3-6-18(15-17)30-16-24-26-27-30)28-13-10-23(11-14-28)21-9-4-12-29(21)20-8-2-1-7-19(20)25-23/h1-9,12,15-16,25H,10-11,13-14H2
InChIKeyBJRYQOMSFZGJDW-UHFFFAOYSA-N
XLogP3.01
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Quinolin-3-yl-3-tetrazol-1-yl-benzamide
CID 651603
1-[(1-Benzoylpiperidin-4-Yl)methyl]-N-(Pyridin-3-Yl)-1h-Benzimidazole-5-Carboxamide
CID 72771099
N-{4-[4-(Pyridin-2-YL)piperazine-1-carbonyl]phenyl}-[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-amine
CID 22432629
N,N-diisopentyl-3-(3-(piperidin-1-yl)propyl)-2-(pyridin-3-ylamino)-3H-benzo[d]imidazole-5-carboxamide
CID 44432952
N-ethyl-4-methyl-1-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153104
N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153186
N-ethyl-4-methyl-1-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153260
N-ethyl-4-methyl-1-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153327
N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153351
[4-(1-Methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73388373
(4-Pyrimidin-2-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73441896
[4-(3-Methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73442057

Frequently Asked Questions

What is the IUPAC name of spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone (CID 16672195) is spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is BJRYQOMSFZGJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c31-22(17-5-3-6-18(15-17)30-16-24-26-27-30)28-13-10-23(11-14-28)21-9-4-12-29(21)20-8-2-1-7-19(20)25-23/h1-9,12,15-16,25H,10-11,13-14H2.
What are the key properties of spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone?
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 411.47 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 16672195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).