methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

C23H24N4O4 — CID 153495831

IUPACmethyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2
InChIInChI=1S/C23H24N4O4/c1-30-22(29)27-11-9-23(10-12-27)13-18(16-6-2-3-8-19(16)31-23)25-21(28)17-7-4-5-15-14-24-26-20(15)17/h2-8,14,18H,9-13H2,1H3,(H,24,26)(H,25,28)/t18-/m0/s1
InChIKeyRAGRSJZRDCXUHV-SFHVURJKSA-N
MW420.47 g/mol
LogP3.42
Rot. Bonds2

About methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 153495831) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
PubChem CID153495831
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Namemethyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2
InChIInChI=1S/C23H24N4O4/c1-30-22(29)27-11-9-23(10-12-27)13-18(16-6-2-3-8-19(16)31-23)25-21(28)17-7-4-5-15-14-24-26-20(15)17/h2-8,14,18H,9-13H2,1H3,(H,24,26)(H,25,28)/t18-/m0/s1
InChIKeyRAGRSJZRDCXUHV-SFHVURJKSA-N
XLogP3.42
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
CID 146585142
4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
CID 174999622
ethyl (4S)-6-ethyl-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 155540941
ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 137386203
N-(6-bromo-1'-butanoylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-indazole-7-carboxamide
CID 137386148
methyl (4S)-6-bromo-4-(1H-indazol-7-ylsulfinylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 147372178
ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509505
ethyl 6-bromo-4-[(2-ethyl-1H-indole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386121
ethyl 4-[[2-amino-3-(2-methylbut-1-enyl)benzoyl]amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509515
2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
4-chloro-N-[(2R,4R)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]-1H-pyrazole-5-carboxamide
CID 51598875
N-(6-methylspiro[3.3]heptan-2-yl)-1H-indazole-7-carboxamide
CID 170258466

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (CID 153495831) is methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is COC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2.
What is the InChIKey of methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is RAGRSJZRDCXUHV-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-22(29)27-11-9-23(10-12-27)13-18(16-6-2-3-8-19(16)31-23)25-21(28)17-7-4-5-15-14-24-26-20(15)17/h2-8,14,18H,9-13H2,1H3,(H,24,26)(H,25,28)/t18-/m0/s1.
What are the key properties of methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 153495831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).