4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid

C24H24N4O6 — CID 174999622

IUPAC4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)c1cccc3cn[nH]c13)CC1(CCN(C(=O)O)CC1)O2
InChIInChI=1S/C24H24N4O6/c1-33-22(30)14-5-6-19-17(11-14)18(12-24(34-19)7-9-28(10-8-24)23(31)32)26-21(29)16-4-2-3-15-13-25-27-20(15)16/h2-6,11,13,18H,7-10,12H2,1H3,(H,25,27)(H,26,29)(H,31,32)
InChIKeyQZOLPYCRYXZTIJ-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.12
Rot. Bonds3

About 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid

4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 174999622) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
PubChem CID174999622
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)c1cccc3cn[nH]c13)CC1(CCN(C(=O)O)CC1)O2
InChIInChI=1S/C24H24N4O6/c1-33-22(30)14-5-6-19-17(11-14)18(12-24(34-19)7-9-28(10-8-24)23(31)32)26-21(29)16-4-2-3-15-13-25-27-20(15)16/h2-6,11,13,18H,7-10,12H2,1H3,(H,25,27)(H,26,29)(H,31,32)
InChIKeyQZOLPYCRYXZTIJ-UHFFFAOYSA-N
XLogP3.12
TPSA133.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid (CID 174999622) is 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid is COC(=O)c1ccc2c(c1)C(NC(=O)c1cccc3cn[nH]c13)CC1(CCN(C(=O)O)CC1)O2.
What is the InChIKey of 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is QZOLPYCRYXZTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-33-22(30)14-5-6-19-17(11-14)18(12-24(34-19)7-9-28(10-8-24)23(31)32)26-21(29)16-4-2-3-15-13-25-27-20(15)16/h2-6,11,13,18H,7-10,12H2,1H3,(H,25,27)(H,26,29)(H,31,32).
What are the key properties of 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid?
4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 464.48 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazole-7-carbonylamino)-6-methoxycarbonylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 174999622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).