1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C24H25N3O4 — CID 46884622

IUPAC1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4n[nH]c(C)c4c3)CC1)O2
InChIInChI=1S/C24H25N3O4/c1-14-11-16(12-17-15(2)25-26-22(14)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-3)5-4-6-20(21)31-24/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26)
InChIKeySFQNJYPSTQRBCJ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.83
Rot. Bonds2

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

1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46884622) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46884622
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4n[nH]c(C)c4c3)CC1)O2
InChIInChI=1S/C24H25N3O4/c1-14-11-16(12-17-15(2)25-26-22(14)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-3)5-4-6-20(21)31-24/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26)
InChIKeySFQNJYPSTQRBCJ-UHFFFAOYSA-N
XLogP3.83
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 46884622) is 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4n[nH]c(C)c4c3)CC1)O2.
What is the InChIKey of 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is SFQNJYPSTQRBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-14-11-16(12-17-15(2)25-26-22(14)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-3)5-4-6-20(21)31-24/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26).
What are the key properties of 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).