ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate

C23H25N5O4 — CID 137386203

IUPACethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cn[nH]c13)c1ncccc1O2
InChIInChI=1S/C23H25N5O4/c1-2-31-22(30)28-11-8-23(9-12-28)13-17(20-18(32-23)7-4-10-24-20)26-21(29)16-6-3-5-15-14-25-27-19(15)16/h3-7,10,14,17H,2,8-9,11-13H2,1H3,(H,25,27)(H,26,29)
InChIKeyCJZZNDGMLMFKKI-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.20
Rot. Bonds3

About ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate

ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate (PubChem CID 137386203) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
PubChem CID137386203
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Nameethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cn[nH]c13)c1ncccc1O2
InChIInChI=1S/C23H25N5O4/c1-2-31-22(30)28-11-8-23(9-12-28)13-17(20-18(32-23)7-4-10-24-20)26-21(29)16-6-3-5-15-14-25-27-19(15)16/h3-7,10,14,17H,2,8-9,11-13H2,1H3,(H,25,27)(H,26,29)
InChIKeyCJZZNDGMLMFKKI-UHFFFAOYSA-N
XLogP3.20
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate with MolForge

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Related Compounds

ethyl (4S)-6-ethyl-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 155540941
methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 153495831
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
N-(6-bromo-1'-butanoylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-indazole-7-carboxamide
CID 137386148
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 6-bromo-4-[[2-(dihydroxyphosphanyloxymethyl)indazole-7-carbonyl]amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386111
ethyl 4-[[2-amino-3-(2-methylbut-1-enyl)benzoyl]amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509515
ethyl (4S)-4-[[2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-methylphosphoryl]oxyindazole-7-carbonyl]amino]-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 174999712
methyl (4S)-6-bromo-4-(1H-indazol-7-ylsulfinylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 147372178
1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076910

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate (CID 137386203) is ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cn[nH]c13)c1ncccc1O2.
What is the InChIKey of ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is CJZZNDGMLMFKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-2-31-22(30)28-11-8-23(9-12-28)13-17(20-18(32-23)7-4-10-24-20)26-21(29)16-6-3-5-15-14-25-27-19(15)16/h3-7,10,14,17H,2,8-9,11-13H2,1H3,(H,25,27)(H,26,29).
What are the key properties of ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 137386203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).