1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

C24H23N5O2 — CID 70814273

IUPAC1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4cn[nH]c4c3)CC1)c1cccn1-2
InChIInChI=1S/C24H23N5O2/c1-31-18-6-7-21-20(14-18)26-24(22-3-2-10-29(21)22)8-11-28(12-9-24)23(30)16-4-5-17-15-25-27-19(17)13-16/h2-7,10,13-15,26H,8-9,11-12H2,1H3,(H,25,27)
InChIKeyZPCIDIOMBJINKA-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.92
Rot. Bonds2

About 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 70814273) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID70814273
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4cn[nH]c4c3)CC1)c1cccn1-2
InChIInChI=1S/C24H23N5O2/c1-31-18-6-7-21-20(14-18)26-24(22-3-2-10-29(21)22)8-11-28(12-9-24)23(30)16-4-5-17-15-25-27-19(17)13-16/h2-7,10,13-15,26H,8-9,11-12H2,1H3,(H,25,27)
InChIKeyZPCIDIOMBJINKA-UHFFFAOYSA-N
XLogP3.92
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone
CID 118714783
1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
CID 70814248
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
(3-fluoro-4-methylphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058114
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766
CID 95794222
CID 95794222
N-(3,5-dimethylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030239
(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53025842
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511
(4-ethoxyphenyl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025874
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 70814273) is 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4cn[nH]c4c3)CC1)c1cccn1-2.
What is the InChIKey of 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is ZPCIDIOMBJINKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-18-6-7-21-20(14-18)26-24(22-3-2-10-29(21)22)8-11-28(12-9-24)23(30)16-4-5-17-15-25-27-19(17)13-16/h2-7,10,13-15,26H,8-9,11-12H2,1H3,(H,25,27).
What are the key properties of 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 413.48 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 70814273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).