methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate

C25H25N3O5 — CID 69072950

IUPACmethyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(C)c4n[nH]c(C)c4c3)CC1)O2
InChIInChI=1S/C25H25N3O5/c1-14-10-17(12-18-15(2)26-27-22(14)18)23(30)28-8-6-25(7-9-28)13-20(29)19-11-16(24(31)32-3)4-5-21(19)33-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,27)
InChIKeyUOIXHESJVQZDMX-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.61
Rot. Bonds2

About methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate

methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate (PubChem CID 69072950) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate.

Molecular Properties

Compound Namemethyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate
PubChem CID69072950
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Namemethyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(C)c4n[nH]c(C)c4c3)CC1)O2
InChIInChI=1S/C25H25N3O5/c1-14-10-17(12-18-15(2)26-27-22(14)18)23(30)28-8-6-25(7-9-28)13-20(29)19-11-16(24(31)32-3)4-5-21(19)33-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,27)
InChIKeyUOIXHESJVQZDMX-UHFFFAOYSA-N
XLogP3.61
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate with MolForge

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Related Compounds

methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
6-chloro-7-methyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69077367
1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 69074460
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884754
methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108739950
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
methyl 3-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108726226
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277
6,7-dimethyl-1'-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69072990

Frequently Asked Questions

What is the IUPAC name of methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate?
The IUPAC name of methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate (CID 69072950) is methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate.
What is the SMILES notation for methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate?
The canonical SMILES for methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate is COC(=O)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(C)c4n[nH]c(C)c4c3)CC1)O2.
What is the InChIKey of methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate?
The InChIKey is UOIXHESJVQZDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-14-10-17(12-18-15(2)26-27-22(14)18)23(30)28-8-6-25(7-9-28)13-20(29)19-11-16(24(31)32-3)4-5-21(19)33-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,27).
What are the key properties of methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate?
methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate has a molecular weight of 447.49 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate is sourced from PubChem (CID 69072950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).