1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C23H23N3O3 — CID 24957986

IUPAC1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2
InChIInChI=1S/C23H23N3O3/c1-14-10-18-19(27)12-23(29-20(18)11-15(14)2)6-8-26(9-7-23)22(28)17-5-3-4-16-13-24-25-21(16)17/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
InChIKeyCHEUTPWOLURCHV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.82
Rot. Bonds1

About 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 24957986) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID24957986
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2
InChIInChI=1S/C23H23N3O3/c1-14-10-18-19(27)12-23(29-20(18)11-15(14)2)6-8-26(9-7-23)22(28)17-5-3-4-16-13-24-25-21(16)17/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
InChIKeyCHEUTPWOLURCHV-UHFFFAOYSA-N
XLogP3.82
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 24957986) is 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2.
What is the InChIKey of 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is CHEUTPWOLURCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-10-18-19(27)12-23(29-20(18)11-15(14)2)6-8-26(9-7-23)22(28)17-5-3-4-16-13-24-25-21(16)17/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25).
What are the key properties of 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 389.46 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 24957986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).