4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid

C22H22N4O4 — CID 146585142

IUPAC4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
SMILESO=C(NC1CC2(CCN(C(=O)O)CC2)Oc2ccccc21)c1cccc2cn[nH]c12
InChIInChI=1S/C22H22N4O4/c27-20(16-6-3-4-14-13-23-25-19(14)16)24-17-12-22(8-10-26(11-9-22)21(28)29)30-18-7-2-1-5-15(17)18/h1-7,13,17H,8-12H2,(H,23,25)(H,24,27)(H,28,29)
InChIKeyOFXXAIYLPRYCIL-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.33
Rot. Bonds2

About 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid

4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 146585142) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
PubChem CID146585142
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
SMILESO=C(NC1CC2(CCN(C(=O)O)CC2)Oc2ccccc21)c1cccc2cn[nH]c12
InChIInChI=1S/C22H22N4O4/c27-20(16-6-3-4-14-13-23-25-19(14)16)24-17-12-22(8-10-26(11-9-22)21(28)29)30-18-7-2-1-5-15(17)18/h1-7,13,17H,8-12H2,(H,23,25)(H,24,27)(H,28,29)
InChIKeyOFXXAIYLPRYCIL-UHFFFAOYSA-N
XLogP3.33
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 153495831
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
N-(6-bromo-1'-butanoylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-indazole-7-carboxamide
CID 137386148
ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 137386203
6-bromo-4-(1H-pyrazole-5-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
CID 146585123
ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509505
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
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
2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
CID 155948335
N-(6-methylspiro[3.3]heptan-2-yl)-1H-indazole-7-carboxamide
CID 170258466

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid (CID 146585142) is 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid is O=C(NC1CC2(CCN(C(=O)O)CC2)Oc2ccccc21)c1cccc2cn[nH]c12.
What is the InChIKey of 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is OFXXAIYLPRYCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c27-20(16-6-3-4-14-13-23-25-19(14)16)24-17-12-22(8-10-26(11-9-22)21(28)29)30-18-7-2-1-5-15(17)18/h1-7,13,17H,8-12H2,(H,23,25)(H,24,27)(H,28,29).
What are the key properties of 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid?
4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 406.44 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 146585142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).