1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C25H27N3O3 — CID 46884620

IUPAC1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)c(C)cc2O3)cc2cn[nH]c12
InChIInChI=1S/C25H27N3O3/c1-4-17-11-18(12-19-14-26-27-23(17)19)24(30)28-7-5-25(6-8-28)13-21(29)20-9-15(2)16(3)10-22(20)31-25/h9-12,14H,4-8,13H2,1-3H3,(H,26,27)
InChIKeyHAQUGOAYIOFJRP-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.38
Rot. Bonds2

About 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46884620) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46884620
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)c(C)cc2O3)cc2cn[nH]c12
InChIInChI=1S/C25H27N3O3/c1-4-17-11-18(12-19-14-26-27-23(17)19)24(30)28-7-5-25(6-8-28)13-21(29)20-9-15(2)16(3)10-22(20)31-25/h9-12,14H,4-8,13H2,1-3H3,(H,26,27)
InChIKeyHAQUGOAYIOFJRP-UHFFFAOYSA-N
XLogP4.38
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 46884620) is 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is CCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)c(C)cc2O3)cc2cn[nH]c12.
What is the InChIKey of 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HAQUGOAYIOFJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-4-17-11-18(12-19-14-26-27-23(17)19)24(30)28-7-5-25(6-8-28)13-21(29)20-9-15(2)16(3)10-22(20)31-25/h9-12,14H,4-8,13H2,1-3H3,(H,26,27).
What are the key properties of 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 417.51 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).